Geometry & MOs

Info

ID:	204067
PubChem CID:	79908524
Reduced:	SN2O2C16H16 (1)
Stoich.:	AB2C2D16E16 (1)
Weight, g/mol:	286.168128
ΔH_f, kcal/mol:	-33.89
Dipole, Da:	4.05
IP(EA), eV:	-8.93(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclopentylmethyl)-3,3-dimethyl-4H-1,4-benzodiazepine-2,5-dione

Drug info:

PubChemData

Smile

CC1(C(=O)N(C2=CC=CC=C2C(=O)N1)CC3=CSC=C3)C

DOS

IR

Vibrations