Geometry & MOs

Info

ID:

375849

PubChem CID:

134221841

Reduced:

ClFNO5C33H35 (1)

Stoich.:

ABCD5E33F35 (1)

Weight, g/mol:

425.181393

ΔHf, kcal/mol:

-248.86

Dipole, Da:

5.24

IP(EA), eV:

 -8.65(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4Z)-4-methyl-3-methylidene-2-[(2-methylpropan-2-yl)oxy]-6-[methyl-[2-(trifluoromethyl)benzoyl]amino]hepta-4,6-dienoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)N2CCC3=C2C=C(C(=C3C4=CC(=C5C(=C4C)CCCO5)F)[C@@H](C(=O)O)OC(C)(C)C)C)Cl

DOS

IR

Vibrations