Geometry & MOs

Info

ID:	381518
PubChem CID:	134972280
Reduced:	SO5H13C15 (1)
Stoich.:	AB5C13D15 (1)
Weight, g/mol:	302.079038
ΔH_f, kcal/mol:	-120.05
Dipole, Da:	3.16
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.073591
Charge, e:	0

Chem-info

IUPAC name:

(1R,13R)-3,10-dihydroxy-5-methoxy-14,17-dioxatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4(9),5,7,10-pentaen-12-one

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1C(OC2=[OH+])S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations