Geometry & MOs

Info

ID:	243981
PubChem CID:	99303096
Reduced:	S2N3O4C22H31 (1)
Stoich.:	A2B3C4D22E31 (1)
Weight, g/mol:	469.239913
ΔH_f, kcal/mol:	-124.43
Dipole, Da:	7.09
IP(EA), eV:	-8.53(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(2R)-pentan-2-yl]-1-[3-(4-thiophen-2-ylbutanoylamino)benzoyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CSCC[C@H](C(=O)N1CCC[C@@H](C1)C(=O)NC2CC2)NS(=O)(=O)/C=C/C3=CC=CC=C3

DOS

IR

Vibrations