Geometry & MOs

Info

ID:	209262
PubChem CID:	80645076
Reduced:	ClOS2H7C10 (1)
Stoich.:	ABC2D7E10 (1)
Weight, g/mol:	320.038627
ΔH_f, kcal/mol:	12.91
Dipole, Da:	2.74
IP(EA), eV:	-9.0(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chlorothiophene-2-carbonyl)-3-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Drug info:

PubChemData

Smile

C1=CSC=C1CC(=O)C2=C(C=CS2)Cl

DOS

IR

Vibrations