Geometry & MOs

Info

ID:	434820
PubChem CID:	135175765
Reduced:	FO3N4H21C23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	488.13592
ΔH_f, kcal/mol:	-51.71
Dipole, Da:	7.54
IP(EA), eV:	-8.84(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]-2-[6-(1-hydroxyethyl)pyridin-3-yl]benzoic acid

Drug info:

PubChemData

Smile

C1CC(C1)N2C=C(C=N2)C3=C(C=C(C=C3)NC(=O)C4(CC4)C5=NC=C(C=C5)F)C(=O)O

DOS

IR

Vibrations