Geometry & MOs

Info

ID:	85902
PubChem CID:	49880001
Reduced:	ClON2H18C19 (1)
Stoich.:	ABC2D18E19 (1)
Weight, g/mol:	545.90763
ΔH_f, kcal/mol:	37.06
Dipole, Da:	2.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.938524
Charge, e:	-1

Chem-info

IUPAC name:

4-bromo-N-[4-(4-chlorophenyl)-5-methyl-1-prop-2-enylimidazol-2-yl]benzenesulfonamide;bromide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C3CCCC3=C2NC4=CC(=CC=C4)O.[Cl-]

DOS

IR

Vibrations