Geometry & MOs

Info

ID:	430890
PubChem CID:	135170957
Reduced:	SO3N4C24H30 (1)
Stoich.:	AB3C4D24E30 (1)
Weight, g/mol:	438.208947
ΔH_f, kcal/mol:	-66.25
Dipole, Da:	7.78
IP(EA), eV:	-8.87(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(benzylamino)cyclohexyl]-N-ethyl-6-methylsulfinyl-1H-benzimidazole-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC=CC=C2)C(=O)C3=NC4=C(N3)C=C(C=C4)S(=O)(=O)C

DOS

IR

Vibrations