Geometry & MOs

Info

ID:

185329

PubChem CID:

77286862

Reduced:

SN3O5C28H39 (1)

Stoich.:

AB3C5D28E39 (1)

Weight, g/mol:

463.064746

ΔHf, kcal/mol:

-200.15

Dipole, Da:

13.59

IP(EA), eV:

 -9.02(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[2-[amino-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)CNC(=O)C2CN(CCN2S(=O)(=O)C3=CC(=C(C=C3)OC)C(C)(C)C)C(=O)C

DOS

IR

Vibrations