Geometry & MOs

Info

ID:	16664
PubChem CID:	474510
Reduced:	OSN3C16H17 (1)
Stoich.:	ABC3D16E17 (1)
Weight, g/mol:	299.109233
ΔH_f, kcal/mol:	26.72
Dipole, Da:	1.31
IP(EA), eV:	-8.2(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1H-benzimidazol-2-ylsulfinylmethyl)-3,6-dimethylaniline

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C)N)CS(=O)C2=NC3=CC=CC=C3N2

DOS

IR

Vibrations