Geometry & MOs

Info

ID:	393416
PubChem CID:	135020491
Reduced:	SO7C20H30 (1)
Stoich.:	AB7C20D30 (1)
Weight, g/mol:	292.094688
ΔH_f, kcal/mol:	-306.13
Dipole, Da:	4.39
IP(EA), eV:	-9.01(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-2,3,7-trihydroxy-9-methoxy-4a-methyl-3,4-dihydro-2H-benzo[c]chromen-6-one

Drug info:

PubChemData

Smile

C[C@]12CCC3(C([C@@H]1[C@H](C[C@H]([C@@H]2C4=CC=CO4)O)OS(=O)(=O)C)(C)C)OCCO3

DOS

IR

Vibrations