Geometry & MOs

Info

ID:	42964
PubChem CID:	10317447
Reduced:	NSO6C18H19 (1)
Stoich.:	ABC6D18E19 (1)
Weight, g/mol:	377.072179
ΔH_f, kcal/mol:	-159.56
Dipole, Da:	0.94
IP(EA), eV:	-8.17(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-hydroxy-3-(4-hydroxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one

Drug info:

PubChemData

Smile

CN1C=CC2=C1C=CC(=C2)OS(=O)(=O)C3=CC(=C(C(=C3)OC)OC)OC

DOS

IR

Vibrations