Geometry & MOs

Info

ID:	242520
PubChem CID:	97301801
Reduced:	FNO3C18H18 (1)
Stoich.:	ABC3D18E18 (1)
Weight, g/mol:	361.135718
ΔH_f, kcal/mol:	-133.54
Dipole, Da:	2.32
IP(EA), eV:	-9.07(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-7-chloro-1-[2-(ethylamino)ethyl]-5-(2-fluorophenyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1C2=C(CCN1C3=CC=C(C=C3)F)C=C(C=C2)O

DOS

IR

Vibrations