Geometry & MOs

Info

ID:	37124
PubChem CID:	8017189
Reduced:	NSO2C13H21 (1)
Stoich.:	ABC2D13E21 (1)
Weight, g/mol:	423.161663
ΔH_f, kcal/mol:	-97.91
Dipole, Da:	5.49
IP(EA), eV:	-9.43(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpropanamide

Drug info:

PubChemData

Smile

CCC[C@H](C)NS(=O)(=O)C1=C(C=CC(=C1)C)C

DOS

IR

Vibrations