Geometry & MOs

Info

ID:	26438
PubChem CID:	647752
Reduced:	SN2O5C20H22 (1)
Stoich.:	AB2C5D20E22 (1)
Weight, g/mol:	466.258006
ΔH_f, kcal/mol:	-146.98
Dipole, Da:	5.78
IP(EA), eV:	-8.56(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-pyridin-2-ylpentanediamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations