Geometry & MOs

Info

ID:	307659
PubChem CID:	125307939
Reduced:	ClN2O2H15C17 (1)
Stoich.:	AB2C2D15E17 (1)
Weight, g/mol:	314.082205
ΔH_f, kcal/mol:	-38.18
Dipole, Da:	4.07
IP(EA), eV:	-9.0(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-7-chloro-1,3-dimethyl-5-phenyl-1,5-benzodiazepine-2,4-dione

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N(C2=C(C=C(C=C2)Cl)N(C1=O)C3=CC=CC=C3)C

DOS

IR

Vibrations