Geometry & MOs

Info

ID:	182207
PubChem CID:	76859074
Reduced:	ClSN3O5H12C18 (1)
Stoich.:	ABC3D5E12F18 (1)
Weight, g/mol:	438.057169
ΔH_f, kcal/mol:	-20.77
Dipole, Da:	2.29
IP(EA), eV:	-9.08(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-dichlorophenyl)-1-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

COC(=O)C=CC1=CC(=C(C=C1)SC2=NN=C(O2)C3=CC=CC=C3Cl)[N+](=O)[O-]

DOS

IR

Vibrations