Geometry & MOs

Info

ID:

379891

PubChem CID:

134963935

Reduced:

NPS2O3C6H10 (1)

Stoich.:

ABC2D3E6F10 (1)

Weight, g/mol:

700.455443

ΔHf, kcal/mol:

-107.63

Dipole, Da:

4.04

IP(EA), eV:

-9.14(-1.11)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

methyl (2R,4R,7R,8R,9S,10S,11R,12R,13S,17R)-10-[tert-butyl(dimethyl)silyl]oxy-17-hydroxy-1,5,9-trimethyl-16-methylidene-8-tri(propan-2-yl)silyloxy-20-oxapentacyclo[13.4.1.02,13.04,12.07,11]icosa-5,14-diene-14-carboxylate

Drug info:

PubChemData

Smile

CSC(=O)SCC1CO/C(=N\P)/O1

DOS

IR

Vibrations