Geometry & MOs

Info

ID:	230120
PubChem CID:	87570251
Reduced:	ClFN2O4H20C21 (1)
Stoich.:	ABC2D4E20F21 (1)
Weight, g/mol:	498.196628
ΔH_f, kcal/mol:	-72.5
Dipole, Da:	3.06
IP(EA), eV:	-9.35(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(3,4-difluorophenyl)-2-[4-[3-[ethyl-(2-methoxyphenoxy)amino]-2-hydroxypropoxy]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(=NOCC1=CC=CC=C1/C(=N\OC)/C(=O)OC)C2=CC=CC(=C2)C=C(F)Cl

DOS

IR

Vibrations