Geometry & MOs

Info

ID:	59494
PubChem CID:	24875124
Reduced:	N4O4C21H22 (1)
Stoich.:	A4B4C21D22 (1)
Weight, g/mol:	501.206385
ΔH_f, kcal/mol:	-95.31
Dipole, Da:	5.54
IP(EA), eV:	-9.47(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-fluoro-2,6-dimethylbenzoyl)amino]-3-[4-[4-[[(4-methylpyridin-2-yl)amino]methyl]furan-2-yl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC1(CCC(=CC1)C2=C(C=CC(=C2)C(C(=O)O)O)NC(=O)C3=NC=C(N3)C#N)C

DOS

IR

Vibrations