Geometry & MOs

Info

ID:	37996
PubChem CID:	8026291
Reduced:	FN2O4H15C16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	383.07535
ΔH_f, kcal/mol:	-128.24
Dipole, Da:	3.13
IP(EA), eV:	-9.05(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-nitroanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)NNC(=O)COC2=CC=CC=C2F

DOS

IR

Vibrations