Geometry & MOs

Info

ID:	166966
PubChem CID:	74758789
Reduced:	NO6H16C18 (1)
Stoich.:	AB6C16D18 (1)
Weight, g/mol:	343.105587
ΔH_f, kcal/mol:	-116.24
Dipole, Da:	15.15
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.859666
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-ethoxy-4-(5-methylfuran-2-yl)-1,4-dioxobut-2-en-2-yl]amino]benzoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(=CC(=O)C1=CC=C(O1)C)NC2=CC=C(C=C2)C(=O)[O-]

DOS

IR

Vibrations