Geometry & MOs

Info

ID:

328069

PubChem CID:

126691941

Reduced:

ClOSN3C17H18 (1)

Stoich.:

ABCD3E17F18 (1)

Weight, g/mol:

748.179025

ΔHf, kcal/mol:

44.69

Dipole, Da:

3.78

IP(EA), eV:

 -8.34(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-[4-[[5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-(1-oxo-1,2-thiazolidin-2-yl)pyrimidin-5-yl]-4-methoxyphenyl]-3-methylbenzoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C2N1CC(=C)C2C3=NC(=CS3)Cl)N(C)C(=C)C)C=O

DOS

IR

Vibrations