Geometry & MOs

Info

ID:	82808
PubChem CID:	49856575
Reduced:	N8O9C24H26 (1)
Stoich.:	A8B9C24D26 (1)
Weight, g/mol:	550.464424
ΔH_f, kcal/mol:	-298.6
Dipole, Da:	4.88
IP(EA), eV:	-9.07(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,5S)-N-(4-amino-1-cyclobutyl-1,1-dideuterio-3,4-dioxobutan-2-yl)-3-[(2S)-2-(tert-butylcarbamoylamino)-5,5,5-trideuterio-4,4-bis(trideuteriomethyl)pentanoyl]-6,6-bis(trideuteriomethyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)OC(=O)CC[C@@H](C(=O)O)N)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)OC(=O)CC[C@@H](C(=O)O)N)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):