Geometry & MOs

Info

ID:	172299
PubChem CID:	75491326
Reduced:	N3O7C31H35 (1)
Stoich.:	A3B7C31D35 (1)
Weight, g/mol:	488.110732
ΔH_f, kcal/mol:	-191.1
Dipole, Da:	7.38
IP(EA), eV:	-8.24(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-10-(3-prop-2-enoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCC(=O)NCC4=CC=C(C=C4)OC)OC)OC)OC

DOS

IR

Vibrations