Geometry & MOs

Info

ID:	244966
PubChem CID:	99431691
Reduced:	SN4O4C18H28 (1)
Stoich.:	AB4C4D18E28 (1)
Weight, g/mol:	360.216141
ΔH_f, kcal/mol:	-176.92
Dipole, Da:	5.74
IP(EA), eV:	-8.69(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3S)-3-[[(4-methylphenyl)carbamoylamino]methyl]piperidin-1-yl]-2-oxoethyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)NC[C@H]2CCCN(C2)C(=O)[C@@H](C)NS(=O)(=O)C

DOS

IR

Vibrations