Geometry & MOs

Info

ID:	26369
PubChem CID:	645427
Reduced:	SO3N4C18H24 (1)
Stoich.:	AB3C4D18E24 (1)
Weight, g/mol:	433.112999
ΔH_f, kcal/mol:	-90.69
Dipole, Da:	3.03
IP(EA), eV:	-8.87(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(azepan-1-ylsulfonyl)phenyl]sulfonyl-2-methylbenzimidazole

Drug info:

PubChemData

Smile

CCOC(=O)CNC(=O)CSC1=NC2=C(N1C3CCCCC3)N=CC=C2

DOS

IR

Vibrations