Geometry & MOs

Info

ID:	73681
PubChem CID:	48419997
Reduced:	SN3O5C20H21 (1)
Stoich.:	AB3C5D20E21 (1)
Weight, g/mol:	353.104542
ΔH_f, kcal/mol:	-76.12
Dipole, Da:	9.16
IP(EA), eV:	-8.56(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[2-(4-nitrophenyl)sulfinylacetyl]piperidin-4-yl]acetamide

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2N(C1)C(=O)CCNC(=O)CS(=O)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations