Geometry & MOs

Info

ID:

59536

PubChem CID:

24875265

Reduced:

FN4O4H29C31 (1)

Stoich.:

AB4C4D29E31 (1)

Weight, g/mol:

531.216949

ΔHf, kcal/mol:

-110.55

Dipole, Da:

5.15

IP(EA), eV:

 -8.72(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(2-ethyl-4-fluoro-6-methylbenzoyl)amino]-3-[4-[5-[[(4-methoxypyridin-2-yl)amino]methyl]furan-2-yl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CCC1=C(C(=CC(=C1)F)C)C(=O)NC(CC2=CC=C(C=C2)C3=CC=C(O3)CNC4=NC5=CC=CC=C5N4)C(=O)O

DOS

IR

Vibrations