Geometry & MOs

Info

ID:	26175
PubChem CID:	640096
Reduced:	O2H6C7 (2)
Stoich.:	A2B6C7 (2)
Weight, g/mol:	408.066759
ΔH_f, kcal/mol:	-128.02
Dipole, Da:	4.07
IP(EA), eV:	-8.88(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-hydroxyphenyl)-4-oxochromen-7-yl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(=O)C2=C(C=C(C=C2)O)O)O

DOS

IR

Vibrations