Geometry & MOs

Info

ID:

191522

PubChem CID:

78156578

Reduced:

BSnO3C33H51 (1)

Stoich.:

ABC3D33E51 (1)

Weight, g/mol:

644.428819

ΔHf, kcal/mol:

-198.98

Dipole, Da:

3.14

IP(EA), eV:

-8.32(0.51)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-(hydroxymethyl)-6-[[8-(6-methoxy-6-methylhept-4-en-2-yl)-5,9,17,17-tetramethyl-19-methylidene-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-yl]oxy]oxane-3,4,5-triol

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C(=C(C2=CC=CC=C2)[Sn](C(C)(C)C)(C(C)(C)C)C(C)(C)C)C3=CC=C(C=C3)OC

DOS

IR

Vibrations