Geometry & MOs

Info

ID:	245153
PubChem CID:	99437706
Reduced:	ClO3N4C19H23 (1)
Stoich.:	AB3C4D19E23 (1)
Weight, g/mol:	425.177313
ΔH_f, kcal/mol:	-69.34
Dipole, Da:	7.25
IP(EA), eV:	-8.6(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[[4-[(2-phenacylsulfanylacetyl)amino]phenyl]methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1CC(=O)NC2=CC=C(C=C2)CN3CCC[C@H](C3)C(=O)N)Cl

DOS

IR

Vibrations