Geometry & MOs

Info

ID:	237987
PubChem CID:	92728687
Reduced:	NSCl2O4C19H21 (1)
Stoich.:	ABC2D4E19F21 (1)
Weight, g/mol:	457.149384
ΔH_f, kcal/mol:	-169.78
Dipole, Da:	2.27
IP(EA), eV:	-8.57(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

CSCC[C@H](C(=O)OC1=C(C(=CC=C1)Cl)Cl)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O

DOS

IR

Vibrations