Geometry & MOs

Info

ID:	218897
PubChem CID:	85090130
Reduced:	SN3O3H29C31 (1)
Stoich.:	AB3C3D29E31 (1)
Weight, g/mol:	524.110732
ΔH_f, kcal/mol:	7.72
Dipole, Da:	4.92
IP(EA), eV:	-8.28(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2,4-dihydroxybenzoyl)-4,6-dihydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CN(CCOC1=CC=C(C=C1)NC(=O)C2C=CC=C3C2=NC4=CC=CC=C4C3=O)CC5=CC=C(C=C5)SC

DOS

IR

Vibrations