Geometry & MOs

Info

ID:	221292
PubChem CID:	85267103
Reduced:	SO2C23H30 (1)
Stoich.:	AB2C23D30 (1)
Weight, g/mol:	392.147118
ΔH_f, kcal/mol:	-48.46
Dipole, Da:	4.03
IP(EA), eV:	-7.86(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxy-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-6-yl] acetate

Drug info:

PubChemData

Smile

CC(COC)C(C(=CCCC1=CC=CC=C1)C)SC2=CC=C(C=C2)OC

DOS

IR

Vibrations