Geometry & MOs

Info

ID:

394895

PubChem CID:

135024065

Reduced:

NC9H9 (2)

Stoich.:

AB9C9 (2)

Weight, g/mol:

894.570867

ΔHf, kcal/mol:

90.78

Dipole, Da:

3.83

IP(EA), eV:

 -8.15(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,4R,6S,8R,9R,12S,14S,16S)-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]-12-hydroxy-8,14-dimethoxy-3-(methoxymethoxy)-4,11,11-trimethyl-16-[(Z,4R)-4-(phenylmethoxymethyl)hex-2-en-2-yl]-oxacyclohexadecane-2,10-dione

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2N=C1N(C)C3=CC=CC=C3)C=C

DOS

IR

Vibrations