Geometry & MOs

Info

ID:	245167
PubChem CID:	99437721
Reduced:	SN4O4C22H28 (1)
Stoich.:	AB4C4D22E28 (1)
Weight, g/mol:	444.183127
ΔH_f, kcal/mol:	-142.68
Dipole, Da:	4.48
IP(EA), eV:	-8.67(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[[4-[[2-(methanesulfonamido)-5-methylbenzoyl]amino]phenyl]methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NS(=O)(=O)C)C(=O)NC2=CC=C(C=C2)CN3CCC[C@@H](C3)C(=O)N

DOS

IR

Vibrations