Geometry & MOs

Info

ID:	144403
PubChem CID:	53363940
Reduced:	SN3O4H15C17 (1)
Stoich.:	AB3C4D15E17 (1)
Weight, g/mol:	546.083197
ΔH_f, kcal/mol:	-88.85
Dipole, Da:	7.75
IP(EA), eV:	-8.26(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[(2R,3R)-3,5-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxin-2-yl]methyl hydrogen sulfate

Drug info:

PubChemData

Smile

C1CN(C(=O)N1)C2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)NC=C4

DOS

IR

Vibrations