Geometry & MOs

Info

ID:	156849
PubChem CID:	56394716
Reduced:	SF3N3O4C21H22 (1)
Stoich.:	AB3C3D4E21F22 (1)
Weight, g/mol:	474.193691
ΔH_f, kcal/mol:	-200.6
Dipole, Da:	6.92
IP(EA), eV:	-8.85(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[1-(4-methoxyphenyl)piperidin-4-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CCC(CC2)NC(=O)CSC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations