Geometry & MOs

Info

ID:	49698
PubChem CID:	11533587
Reduced:	O3N5C30H33 (1)
Stoich.:	A3B5C30D33 (1)
Weight, g/mol:	511.159949
ΔH_f, kcal/mol:	-48.11
Dipole, Da:	4.49
IP(EA), eV:	-8.27(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(benzenesulfonyl)-N-[(2S)-1-oxo-3-phenyl-1-(thiophen-2-ylmethylamino)propan-2-yl]piperidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)CCCCC[C@@H](C(=O)NCCC1=C(NC2=CC=CC=C21)C3=CC=CC=C3)NC(=O)C4=NC=CN=C4

DOS

IR

Vibrations