Geometry & MOs

Info

ID:	28309
PubChem CID:	826958
Reduced:	SCl2N2H12C16 (1)
Stoich.:	AB2C2D12E16 (1)
Weight, g/mol:	346.054277
ΔH_f, kcal/mol:	73.37
Dipole, Da:	5.2
IP(EA), eV:	-8.75(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-5-(3,4-dimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepine-2-thione

Drug info:

PubChemData

Smile

CN1C(=S)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3Cl

DOS

IR

Vibrations