Geometry & MOs

Info

ID:	36098
PubChem CID:	7980762
Reduced:	NO2C12H12 (2)
Stoich.:	AB2C12D12 (2)
Weight, g/mol:	380.117235
ΔH_f, kcal/mol:	-118.97
Dipole, Da:	3.78
IP(EA), eV:	-9.05(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations