Geometry & MOs

Info

ID:	379802
PubChem CID:	134464937
Reduced:	NO2C19H21 (1)
Stoich.:	AB2C19D21 (1)
Weight, g/mol:	407.116901
ΔH_f, kcal/mol:	-54.54
Dipole, Da:	4.21
IP(EA), eV:	-9.21(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[7-fluoro-1-(4-methoxyphenyl)-3-oxo-2-benzofuran-1-yl]amino]benzoate

Drug info:

PubChemData

Smile

CCCNC1(C2=CC=CC=C2C(=O)O1)C3=CC(=C(C=C3)C)C

DOS

IR

Vibrations