Geometry & MOs

Info

ID:	140708
PubChem CID:	52743539
Reduced:	N2O5C24H24 (1)
Stoich.:	A2B5C24D24 (1)
Weight, g/mol:	436.12792
ΔH_f, kcal/mol:	-131.59
Dipole, Da:	5.6
IP(EA), eV:	-8.44(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(2S)-2-phenyl-2-phenylsulfanylacetyl]piperidin-4-yl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2OCCOC3=CC=CC=C3)C(=O)OC

DOS

IR

Vibrations