Geometry & MOs

Info

ID:	343635
PubChem CID:	127266811
Reduced:	NSO4C14H23 (1)
Stoich.:	ABC4D14E23 (1)
Weight, g/mol:	344.130697
ΔH_f, kcal/mol:	-173.5
Dipole, Da:	7.52
IP(EA), eV:	-9.34(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(benzimidazol-1-yl)pyridin-3-yl]methyl]butane-1-sulfonamide

Drug info:

PubChemData

Smile

CCC(C)N(CCO)S(=O)(=O)C1=C(C=C(C=C1)OC)C

DOS

IR

Vibrations