Geometry & MOs

Info

ID:	195917
PubChem CID:	78748660
Reduced:	ClO5H15C18 (1)
Stoich.:	AB5C15D18 (1)
Weight, g/mol:	344.08085
ΔH_f, kcal/mol:	-141.79
Dipole, Da:	2.28
IP(EA), eV:	-8.8(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-nitroanilino)-2-oxoethyl] 3-(4-fluorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=CC(=O)OCC(=O)C2=CC=CC=C2Cl)O

DOS

IR

Vibrations