Geometry & MOs

Info

ID:	245202
PubChem CID:	99437872
Reduced:	SO4N6C21H30 (1)
Stoich.:	AB4C6D21E30 (1)
Weight, g/mol:	455.220892
ΔH_f, kcal/mol:	-130.6
Dipole, Da:	8.44
IP(EA), eV:	-8.43(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[[4-[[2-(4-methylbenzoyl)benzoyl]amino]phenyl]methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CN1C)S(=O)(=O)NCCC(=O)NC2=CC=C(C=C2)CN3CCC[C@H](C3)C(=O)N

DOS

IR

Vibrations