Geometry & MOs

Info

ID:	335042
PubChem CID:	127253848
Reduced:	NO5H17C20 (1)
Stoich.:	AB5C17D20 (1)
Weight, g/mol:	494.04046
ΔH_f, kcal/mol:	-124.52
Dipole, Da:	2.66
IP(EA), eV:	-8.45(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[8-(4-chlorophenyl)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-oxofuro[2,3-h]chromen-9-yl]acetic acid

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCO)OC

DOS

IR

Vibrations