Geometry & MOs

Info

ID:	328304
PubChem CID:	126700643
Reduced:	FO3N5H28C29 (1)
Stoich.:	AB3C5D28E29 (1)
Weight, g/mol:	476.138148
ΔH_f, kcal/mol:	-23.7
Dipole, Da:	6.56
IP(EA), eV:	-8.21(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-[4-[[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethenylamino]methyl]phenoxy]propanoic acid

Drug info:

PubChemData

Smile

CCOC1=CC2=C3C(=C1)OCCCCN3C(=N2)C4=CC(=C(C=C4)C5=NN(C=N5)CC6=CC=C(C=C6)OC)F

DOS

IR

Vibrations