Geometry & MOs

Info

ID:	311147
PubChem CID:	126589630
Reduced:	N5O6C18H25 (1)
Stoich.:	A5B6C18D25 (1)
Weight, g/mol:	438.195486
ΔH_f, kcal/mol:	-258.42
Dipole, Da:	4.24
IP(EA), eV:	-9.81(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-ethyl-4-[(Z)-(3-fluoro-4,12-dimethyl-12,15-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),9,14-pentaen-13-ylidene)methyl]-5-hydroxy-3-(hydroxymethyl)-2H-pyran-6-one

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

C[C@@H](C(=O)NCC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O)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

C[C@@H](C(=O)NCC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):