Geometry & MOs

Info

ID:

219414

PubChem CID:

85148376

Reduced:

O7C27H44 (1)

Stoich.:

A7B27C44 (1)

Weight, g/mol:

502.220283

ΔHf, kcal/mol:

-319.58

Dipole, Da:

3.64

IP(EA), eV:

 -8.43(0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 9-hexanoyloxy-5-(2-methoxy-2-oxoethylidene)-7,8-dimethyl-2,13,15-trioxatetracyclo[8.6.1.04,17.012,16]heptadeca-1(17),10,12(16)-triene-4-carboxylate

Drug info:

PubChemData

Smile

CC1C=CC2CCCC(C2C1CCC(CC(CCO)OC3CCCCO3)OC(=O)C)OC(=O)C

DOS

IR

Vibrations