Geometry & MOs

Info

ID:

214595

PubChem CID:

85083252

Reduced:

FS2N5O5H22C25 (1)

Stoich.:

AB2C5D5E22F25 (1)

Weight, g/mol:

555.240307

ΔHf, kcal/mol:

-155.04

Dipole, Da:

10.46

IP(EA), eV:

 -8.84(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[4-[5,5-dimethyl-4-[(2-methylphenyl)carbamoyl]-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-2,3-dimethyl-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C1CC1CCN2C3=C(C=C(C=C3)F)C(=O)C(=C4NC5=C(C=C(C=C5)N6C=CSC6C(=O)N)S(=O)(=O)N4)C2=O

DOS

IR

Vibrations