Geometry & MOs

Info

ID:

391899

PubChem CID:

135010751

Reduced:

NO4H33C34 (1)

Stoich.:

AB4C33D34 (1)

Weight, g/mol:

496.14905

ΔHf, kcal/mol:

-88.45

Dipole, Da:

4.58

IP(EA), eV:

 -8.38(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(2S,3R)-3-methyl-4-oxo-2-phenylmethoxy-4-[(4S)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]butyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1=CC=C(C=C1)N2C(CC3=C2C=C(C=C3)OC)CC4=CC=C(C=C4)C(=O)C5=CC=CC=C5

DOS

IR

Vibrations