Geometry & MOs

Info

ID:	195198
PubChem CID:	78653690
Reduced:	F2N2O3H16C19 (1)
Stoich.:	A2B2C3D16E19 (1)
Weight, g/mol:	393.98005
ΔH_f, kcal/mol:	-146.33
Dipole, Da:	5.13
IP(EA), eV:	-9.52(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-bromoanilino)-2-oxoethyl] 3-(5-nitrofuran-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=C1C)C(=O)C(=CC2=C(C=CC=C2F)F)C#N)C

DOS

IR

Vibrations