Geometry & MOs

Info

ID:	64111
PubChem CID:	29196191
Reduced:	SN3O4C20H25 (1)
Stoich.:	AB3C4D20E25 (1)
Weight, g/mol:	465.17337
ΔH_f, kcal/mol:	-160.65
Dipole, Da:	3.88
IP(EA), eV:	-9.1(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxyphenyl)-N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=O)N[C@@H]1C)CSCC(=O)N2CCC3=CC=CC=C3C2

DOS

IR

Vibrations