Geometry & MOs

Info

ID:	28273
PubChem CID:	826684
Reduced:	SN2C12H12 (1)
Stoich.:	AB2C12D12 (1)
Weight, g/mol:	286.033147
ΔH_f, kcal/mol:	41.92
Dipole, Da:	4.13
IP(EA), eV:	-8.63(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepine-2-thione

Drug info:

PubChemData

Smile

C1CSCC2=NC3=CC=CC=C3C(=C21)N

DOS

IR

Vibrations