Geometry & MOs

Info

ID:	325844
PubChem CID:	126685269
Reduced:	N2F3O3H19C24 (1)
Stoich.:	A2B3C3D19E24 (1)
Weight, g/mol:	621.255182
ΔH_f, kcal/mol:	-191.19
Dipole, Da:	3.28
IP(EA), eV:	-9.86(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-(4-chlorophenyl)-3-(2,2-dimethyloxan-4-yl)-N-[4-[2-[(6R,9S)-2,2-dioxo-2lambda6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl]-5-fluoropyridin-3-yl]propanamide

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[C@@H](N(C(=O)O1)C(=O)[C@H]([C@@H](C2=CC=C(C=C2)F)C3=CC(=CC(=C3)F)F)N)C4=CC=CC=C4

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[C@@H](N(C(=O)O1)C(=O)[C@H]([C@@H](C2=CC=C(C=C2)F)C3=CC(=CC(=C3)F)F)N)C4=CC=CC=C4

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):