Geometry & MOs

Info

ID:	182208
PubChem CID:	76859103
Reduced:	SCl2N2O3C20H20 (1)
Stoich.:	AB2C2D3E20F20 (1)
Weight, g/mol:	484.250812
ΔH_f, kcal/mol:	-73.16
Dipole, Da:	7.62
IP(EA), eV:	-9.36(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)CC2=C(C=CC=C2Cl)Cl)S(=O)(=O)C=CC3=CC=CC=C3

DOS

IR

Vibrations