Geometry & MOs

Info

ID:	237986
PubChem CID:	92728683
Reduced:	SN2O5C21H28 (1)
Stoich.:	AB2C5D21E28 (1)
Weight, g/mol:	429.056835
ΔH_f, kcal/mol:	-194.42
Dipole, Da:	3.28
IP(EA), eV:	-8.34(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3-dichlorophenyl) (2R)-2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-4-methylsulfanylbutanoate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)NC(=O)[C@@H](CCSC)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O

DOS

IR

Vibrations