Geometry & MOs

Info

ID:	28308
PubChem CID:	826953
Reduced:	ClOSN3H4C9 (1)
Stoich.:	ABCD3E4F9 (1)
Weight, g/mol:	334.009825
ΔH_f, kcal/mol:	45.13
Dipole, Da:	5.9
IP(EA), eV:	-9.28(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-5-(2-chlorophenyl)-1-methyl-3H-1,4-benzodiazepine-2-thione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N3C(=O)C(=NN=C3S2)Cl

DOS

IR

Vibrations