Geometry & MOs

Info

ID:	33012
PubChem CID:	7850314
Reduced:	N3O5C20H25 (1)
Stoich.:	A3B5C20D25 (1)
Weight, g/mol:	358.0965
ΔH_f, kcal/mol:	-202.84
Dipole, Da:	5.84
IP(EA), eV:	-9.89(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] (E)-3-(2-methylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CN1C(=O)N(C(=O)C12CCCCC2)CC(=O)NCC3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations