Geometry & MOs

Info

ID:	148981
PubChem CID:	53788652
Reduced:	SN4O5H18C20 (1)
Stoich.:	AB4C5D18E20 (1)
Weight, g/mol:	495.148032
ΔH_f, kcal/mol:	-83.4
Dipole, Da:	9.37
IP(EA), eV:	-9.48(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dichlorophenyl)-N-[(3R)-2-(6-oxo-1-propan-2-ylcyclohexa-2,4-dien-1-yl)-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C=CC(=O)O

DOS

IR

Vibrations