Geometry & MOs

Info

ID:	37106
PubChem CID:	8016955
Reduced:	Cl2N2O2C19H27 (1)
Stoich.:	A2B2C2D19E27 (1)
Weight, g/mol:	421.167142
ΔH_f, kcal/mol:	-78.97
Dipole, Da:	4.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754778
Charge, e:	0

Chem-info

IUPAC name:

3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(CNC(=O)CC2=C(C=CC=C2Cl)Cl)[NH+]3CCOCC3

DOS

IR

Vibrations