Geometry & MOs

Info

ID:	79708
PubChem CID:	49830061
Reduced:	FN2O4H22C23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	418.152872
ΔH_f, kcal/mol:	-113.72
Dipole, Da:	6.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.819229
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 3-(furan-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

C1COCC[NH+]1CCN2C(C3=C(C2=O)OC4=CC=CC=C4C3=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations