Geometry & MOs

Info

ID:

335832

PubChem CID:

127254694

Reduced:

FNCl2O3H20C33 (1)

Stoich.:

ABC2D3E20F33 (1)

Weight, g/mol:

435.140591

ΔHf, kcal/mol:

-29.08

Dipole, Da:

3.5

IP(EA), eV:

 -9.04(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[4-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-2-oxopyridin-3-yl]-3-(3,4,5-trifluorophenyl)propanoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C3(C2=O)[C@H]([C@@H](N4C3C=CC5=C4C=CC(=C5)F)C(=O)C6=CC=C(C=C6)Cl)C7=CC=C(C=C7)Cl

DOS

IR

Vibrations