Geometry & MOs

Info

ID:	13703
PubChem CID:	397055
Reduced:	ClO2S2N3C17H18 (1)
Stoich.:	AB2C2D3E17F18 (1)
Weight, g/mol:	395.052897
ΔH_f, kcal/mol:	-21.65
Dipole, Da:	4.72
IP(EA), eV:	-8.98(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzyl-4,5-dihydroimidazol-2-yl)-4-chloro-5-methyl-2-sulfanylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NCCN2CC3=CC=CC=C3

DOS

IR

Vibrations