Geometry & MOs

Info

ID:

393349

PubChem CID:

135020226

Reduced:

NSO3C15H19 (1)

Stoich.:

ABC3D15E19 (1)

Weight, g/mol:

864.578699

ΔHf, kcal/mol:

-97.72

Dipole, Da:

5.48

IP(EA), eV:

-9.39(-0.38)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(3S,4E,7R,8S,11E,13S,14S,15E,18R)-14-[tert-butyl(dimethyl)silyl]oxy-8-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutyl]-18-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enyl]-3-hydroxy-3,7,12,13-tetramethyl-1,9-dioxacyclooctadeca-4,11,15-triene-2,10-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC3C4C3(CC2OC4)C

DOS

IR

Vibrations