Geometry & MOs

Info

ID:

396377

PubChem CID:

135028229

Reduced:

NSC20H23 (1)

Stoich.:

ABC20D23 (1)

Weight, g/mol:

792.30982

ΔHf, kcal/mol:

34.86

Dipole, Da:

2.06

IP(EA), eV:

 -8.42(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5S)-2-[(S)-[(2R,5S)-5-[(1S,3R,5S)-1-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-5-methyl-2,8-dioxabicyclo[3.2.1]octan-3-yl]-2-methyl-4-methylideneoxolan-2-yl]-iodomethyl]-9-[(2R)-1-[(4-methoxyphenyl)methoxy]propan-2-yl]-1,10-dioxaspiro[4.5]decane

Drug info:

PubChemData

Smile

CC1C(C2C3=CC=CC=C3C(N2C4=CC=CC=C4)(S1)C)(C)C

DOS

IR

Vibrations