Geometry & MOs

Info

ID:	185058
PubChem CID:	77250044
Reduced:	N3O3C32H43 (1)
Stoich.:	A3B3C32D43 (1)
Weight, g/mol:	592.248619
ΔH_f, kcal/mol:	-114.0
Dipole, Da:	2.01
IP(EA), eV:	-8.8(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)-1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidine-4-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

CC(C)N1C(C(=O)NC(C1=O)CC2CCCCC2)C3CCN(CC3)CC4=CC=C(C=C4)OC5=CC=CC=C5

DOS

IR

Vibrations