Geometry & MOs

Info

ID:

170356

PubChem CID:

75220301

Reduced:

O3C44H76 (1)

Stoich.:

A3B44C76 (1)

Weight, g/mol:

790.334281

ΔHf, kcal/mol:

-247.58

Dipole, Da:

3.82

IP(EA), eV:

 -9.07(0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-methyl-4-[4,4,21-trimethyl-24-(3-methylbut-2-enyl)-21-(4-methylpent-3-enyl)-28-oxo-17-phosphonooxy-3,22,26-trioxa-9,10,12,14-tetrazaoctacyclo[13.11.1.12,7.01,5.08,27.09,13.016,25.018,23]octacosa-11,13,16,18(23),19,24-hexaen-2-yl]but-2-enoate

Drug info:

PubChemData

Smile

CCCCCCCC=CCC(CCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C)O

DOS

IR

Vibrations