Geometry & MOs

Info

ID:	244965
PubChem CID:	99431690
Reduced:	SN4O4C18H28 (1)
Stoich.:	AB4C4D18E28 (1)
Weight, g/mol:	396.183127
ΔH_f, kcal/mol:	-174.13
Dipole, Da:	8.38
IP(EA), eV:	-8.72(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(3R)-1-[(2R)-2-(methanesulfonamido)propanoyl]piperidin-3-yl]methyl]-3-(4-methylphenyl)urea

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