Geometry & MOs

Info

ID:	61105
PubChem CID:	26705732
Reduced:	SN3O5C25H31 (1)
Stoich.:	AB3C5D25E31 (1)
Weight, g/mol:	437.162057
ΔH_f, kcal/mol:	-180.7
Dipole, Da:	6.17
IP(EA), eV:	-8.73(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)propanamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CC3=CC=C(C=C3)N4CCCC4=O

DOS

IR

Vibrations