Geometry & MOs

Info

ID:	193744
PubChem CID:	78433998
Reduced:	ClSN3O3H20C23 (1)
Stoich.:	ABC3D3E20F23 (1)
Weight, g/mol:	352.134241
ΔH_f, kcal/mol:	-28.13
Dipole, Da:	11.0
IP(EA), eV:	-8.94(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-chlorophenyl)-9,9-dimethyl-6,6a,8,10-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC(=O)CSC2=C(C(C3C(=N2)CCCC3=O)C4=CC=CO4)C#N

DOS

IR

Vibrations