Geometry & MOs

Info

ID:	178867
PubChem CID:	76393230
Reduced:	ClSO6C20H25 (1)
Stoich.:	ABC6D20E25 (1)
Weight, g/mol:	413.147452
ΔH_f, kcal/mol:	-241.59
Dipole, Da:	0.54
IP(EA), eV:	-8.58(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydroxyphenyl)-8-[(3,5-dimethylmorpholin-4-yl)methyl]-5,7-dihydroxychromen-4-one

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)CC2=C(SC(=C2)C3C(C(C(C(O3)CO)O)O)O)Cl

DOS

IR

Vibrations