Geometry & MOs

Info

ID:	307347
PubChem CID:	125299648
Reduced:	O2N3H17C19 (1)
Stoich.:	A2B3C17D19 (1)
Weight, g/mol:	472.115818
ΔH_f, kcal/mol:	-8.5
Dipole, Da:	2.6
IP(EA), eV:	-8.7(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2E,9R)-2-[(2,3-dimethoxyphenyl)methylidene]-3,7-dioxo-8,9-dihydrofuro[2,3-f]chromen-9-yl]benzoic acid

Drug info:

PubChemData

Smile

C1CCC2=NC(=O)[C@H](C=C2C1)C(=O)NC3=CC=CC4=C3N=CC=C4

DOS

IR

Vibrations