Geometry & MOs

Info

ID:	33081
PubChem CID:	7850920
Reduced:	O3H16C19 (1)
Stoich.:	A3B16C19 (1)
Weight, g/mol:	400.14345
ΔH_f, kcal/mol:	-43.7
Dipole, Da:	6.38
IP(EA), eV:	-8.26(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)COC2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations