Geometry & MOs

Info

ID:

186494

PubChem CID:

77439134

Reduced:

O5C21H23 (2)

Stoich.:

A5B21C23 (2)

Weight, g/mol:

790.356442

ΔHf, kcal/mol:

-308.06

Dipole, Da:

7.32

IP(EA), eV:

 -8.76(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4,12-diacetyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-15-(3-phenyl-2-propan-2-yloxybutanoyl)oxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

Drug info:

PubChemData

Smile

CCC(C)(C1CC1(C)OC(=O)C=C)OC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)OC5(CC5C(C)(CC)OC(=O)C=C)C

DOS

IR

Vibrations