Geometry & MOs

Info

ID:	237992
PubChem CID:	92728695
Reduced:	ClSN2O5C21H27 (1)
Stoich.:	ABC2D5E21F27 (1)
Weight, g/mol:	485.144299
ΔH_f, kcal/mol:	-209.1
Dipole, Da:	8.4
IP(EA), eV:	-8.23(-0.23)
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-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1NC(=O)[C@@H](CCSC)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)Cl)OC

DOS

IR

Vibrations