Geometry & MOs

Info

ID:

59504

PubChem CID:

24875181

Reduced:

N3O4C30H31 (1)

Stoich.:

A3B4C30D31 (1)

Weight, g/mol:

506.196548

ΔHf, kcal/mol:

-99.07

Dipole, Da:

6.84

IP(EA), eV:

 -8.62(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(2-ethyl-4-fluoro-6-methylbenzoyl)amino]-3-[4-[5-[[(5-oxo-1,4-dihydropyrazol-3-yl)amino]methyl]furan-2-yl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)NCC2=COC(=C2)C3=CC=C(C=C3)CC(C(=O)O)NC(=O)C4=C(C=C(C=C4C)C)C

DOS

IR

Vibrations