Geometry & MOs

Info

ID:	195065
PubChem CID:	78629684
Reduced:	F3N3O5C17H22 (1)
Stoich.:	A3B3C5D17E22 (1)
Weight, g/mol:	332.137222
ΔH_f, kcal/mol:	-308.44
Dipole, Da:	3.36
IP(EA), eV:	-9.76(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-(propylamino)propan-2-yl] 2-anilino-4-oxofuran-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C(C)OC(=O)CCNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations