Geometry & MOs

Info

ID:	192572
PubChem CID:	78286881
Reduced:	SCl2N3O3C20H22 (1)
Stoich.:	AB2C3D3E20F22 (1)
Weight, g/mol:	453.068068
ΔH_f, kcal/mol:	-52.99
Dipole, Da:	10.5
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757950
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dichlorophenyl)-2-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CN(CC[NH+]1CC(=O)NC2=C(C(=CC=C2)Cl)Cl)S(=O)(=O)C=CC3=CC=CC=C3

DOS

IR

Vibrations