Geometry & MOs

Info

ID:	302810
PubChem CID:	124396563
Reduced:	SCl2N2O3C14H20 (1)
Stoich.:	AB2C2D3E14F20 (1)
Weight, g/mol:	445.19026
ΔH_f, kcal/mol:	-137.41
Dipole, Da:	5.65
IP(EA), eV:	-9.83(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(Z)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]indol-1-yl]-N-(3-methylphenyl)acetamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCCC(C)C)NS(=O)(=O)C1=C(C=CC(=C1)Cl)Cl

DOS

IR

Vibrations