Geometry & MOs

Info

ID:	437830
PubChem CID:	135227116
Reduced:	SO2N5C22H23 (1)
Stoich.:	AB2C5D22E23 (1)
Weight, g/mol:	280.160935
ΔH_f, kcal/mol:	65.93
Dipole, Da:	4.55
IP(EA), eV:	-8.52(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(4-methylcyclohexyl)-4-(methylsulfonimidoyl)aniline

Drug info:

PubChemData

Smile

CN1C=C(C2=C(C1=O)NC=C2)C3=C(C=CC(=C3)S(=N)(=O)C4(CC4)C#N)NCC5CC5

DOS

IR

Vibrations