Geometry & MOs

Info

ID:	79599
PubChem CID:	49829681
Reduced:	N2O6C23H24 (1)
Stoich.:	A2B6C23D24 (1)
Weight, g/mol:	401.096476
ΔH_f, kcal/mol:	-185.52
Dipole, Da:	5.24
IP(EA), eV:	-9.55(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfonylprop-2-enenitrile

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C(C)OC2=CC=C(C=C2)C#N

DOS

IR

Vibrations