Geometry & MOs

Info

ID:	227122
PubChem CID:	87560280
Reduced:	OSiS2C6H15 (2)
Stoich.:	ABC2D6E15 (2)
Weight, g/mol:	326.129824
ΔH_f, kcal/mol:	-226.31
Dipole, Da:	1.79
IP(EA), eV:	-8.26(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepine

Drug info:

PubChemData

Smile

CCO[Si](C)(C)CCSSSSCC[Si](C)(C)OCC

DOS

IR

Vibrations