Geometry & MOs

Info

ID:

219608

PubChem CID:

85149471

Reduced:

NO5C39H47 (1)

Stoich.:

AB5C39D47 (1)

Weight, g/mol:

610.277798

ΔHf, kcal/mol:

-157.95

Dipole, Da:

5.11

IP(EA), eV:

 -8.51(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[13-acetyloxy-6-(furan-3-yl)-16-(2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-11-en-14-yl] 2-methylbut-2-enoate

Drug info:

PubChemData

Smile

C1CC1CN2CCC34C5C(CCC3(C2CC6=C4C(=C(C=C6)OCC7=CC=CC=C7)O5)O)OCC(=O)C8C9CC1CC(C9)CC8C1

DOS

IR

Vibrations