Geometry & MOs

Info

ID:	10579
PubChem CID:	104744
Reduced:	O6H14C17 (1)
Stoich.:	A6B14C17 (1)
Weight, g/mol:	314.079038
ΔH_f, kcal/mol:	-152.29
Dipole, Da:	7.06
IP(EA), eV:	-9.29(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,7R,16S)-16-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaen-18-one

Drug info:

PubChemData

Smile

COC1=C2C3=C([C@H](CC3)O)C(=O)OC2=C4[C@@H]5C=CO[C@@H]5OC4=C1

DOS

IR

Vibrations