Geometry & MOs

Info

ID:	26792
PubChem CID:	798395
Reduced:	ClSN4H13C17 (1)
Stoich.:	ABC4D13E17 (1)
Weight, g/mol:	310.113984
ΔH_f, kcal/mol:	125.38
Dipole, Da:	5.99
IP(EA), eV:	-8.72(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,4,5-trimethylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC2=C3C(=NC(=NN3)SCC4=CC=C(C=C4)Cl)N=C2C=C1

DOS

IR

Vibrations