Geometry & MOs

Info

ID:

237990

PubChem CID:

92728692

Reduced:

SO3N4C23H30 (1)

Stoich.:

AB3C4D23E30 (1)

Weight, g/mol:

483.051183

ΔHf, kcal/mol:

-102.23

Dipole, Da:

7.55

IP(EA), eV:

 -8.52(-0.46)

Spin(Sz, 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-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

CCCN1C2=CC=CC=C2N=C1NC(=O)[C@H](CCSC)N3C(=O)[C@@H]4CCCC[C@@H]4C3=O

DOS

IR

Vibrations