Geometry & MOs

Info

ID:	311885
PubChem CID:	126598749
Reduced:	F3O3N4H17C22 (1)
Stoich.:	A3B3C4D17E22 (1)
Weight, g/mol:	518.166471
ΔH_f, kcal/mol:	-172.47
Dipole, Da:	2.46
IP(EA), eV:	-8.99(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(carboxymethyl)-2-methoxy-5-[6-[[3-(trifluoromethoxy)phenyl]methylamino]pyridin-3-yl]phenyl]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CN1C(=C2C=C(C=CC2=N1)C3=CN=C(C=C3)NCC4=CC(=CC=C4)OC(F)(F)F)C(=O)O

DOS

IR

Vibrations