Geometry & MOs

Info

ID:

313534

PubChem CID:

126615495

Reduced:

N2O3F7C36H39 (1)

Stoich.:

A2B3C7D36E39 (1)

Weight, g/mol:

668.248505

ΔHf, kcal/mol:

-471.59

Dipole, Da:

3.3

IP(EA), eV:

 -8.93(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[5-[[3-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-2-oxobutyl]amino]-4-(4-fluoro-2-methylphenyl)-6-(hydroxymethyl)pyridin-2-yl]cyclohexyl]acetic acid

Drug info:

PubChemData

Smile

CCOC(=O)CCC1CCC(CC1)C2=NC=C(C(=C2)C3=C(C=C(C=C3)F)C)NCC(=O)C(C)(C)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations