Geometry & MOs

Info

ID:	437742
PubChem CID:	135226971
Reduced:	SO3N4H20C21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	404.03247
ΔH_f, kcal/mol:	0.9
Dipole, Da:	4.96
IP(EA), eV:	-8.48(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-[(1-chlorocyclopropyl)sulfonimidoyl]-N-(4-methylcyclohexyl)aniline

Drug info:

PubChemData

Smile

CCS(=N)(=O)C1=CC(=C(C=C1)OC2=CC=CC=N2)C3=CN(C(=O)C4=C3C=CN4)C

DOS

IR

Vibrations