Geometry & MOs

Info

ID:

393981

PubChem CID:

135022084

Reduced:

O3C19H20 (1)

Stoich.:

A3B19C20 (1)

Weight, g/mol:

873.269143

ΔHf, kcal/mol:

-67.31

Dipole, Da:

2.67

IP(EA), eV:

-8.23(-0.26)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[(1S,3R,17S,18R,19R,20R,21S,22R,23R,24R,25S)-19,21,22,24-tetraacetyloxy-20-(acetyloxymethyl)-14,25-dihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-9-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-18-yl] furan-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C/2\COCC3=CC(=C(C=C32)OC)OC

DOS

IR

Vibrations