Geometry & MOs

Info

ID:

215277

PubChem CID:

85084467

Reduced:

S2N4O8C41H50 (1)

Stoich.:

A2B4C8D41E50 (1)

Weight, g/mol:

790.411225

ΔHf, kcal/mol:

-263.31

Dipole, Da:

2.45

IP(EA), eV:

 -8.39(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[2-[2-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-2-(2-methyl-1,4-dioxaspiro[4.5]decan-3-yl)ethyl]but-3-enyl]-1-hydroxy-8-(phenylmethoxymethoxy)-6-prop-2-enoxynaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CCCCC1(CN(C2=CC(=C(C=C2S(=O)(=O)N1)OCC(=O)NC(C3=CC=CC=C3)C(=O)NCCC4=CC(=C(C(=C4)O)O)O)SC)C5=CC=CC=C5)CCCC

DOS

IR

Vibrations