Geometry & MOs

Info

ID:	156848
PubChem CID:	56394711
Reduced:	BrN2O4C24H31 (1)
Stoich.:	AB2C4D24E31 (1)
Weight, g/mol:	469.128312
ΔH_f, kcal/mol:	-130.81
Dipole, Da:	5.46
IP(EA), eV:	-8.35(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-methoxyphenyl)piperidin-4-yl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C(=C1)CC(=O)NC2CCN(CC2)C3=CC=C(C=C3)OC)Br)OCC

DOS

IR

Vibrations