Geometry & MOs

Info

ID:	185952
PubChem CID:	77373432
Reduced:	SN2O2C23H40 (1)
Stoich.:	AB2C2D23E40 (1)
Weight, g/mol:	404.083078
ΔH_f, kcal/mol:	-105.4
Dipole, Da:	5.29
IP(EA), eV:	-8.65(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyridin-2-ylsulfanyl 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCN(CC)CC=CCC1=CC=C(C=C1)NS(=O)(=O)C

DOS

IR

Vibrations