Geometry & MOs

Info

ID:

221799

PubChem CID:

85286155

Reduced:

SN2O10C31H32 (1)

Stoich.:

AB2C10D31E32 (1)

Weight, g/mol:

624.245177

ΔHf, kcal/mol:

-355.3

Dipole, Da:

1.21

IP(EA), eV:

 -8.95(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(acetyloxymethyl)-6-[2-(acetyloxymethyl)-6-ethylsulfanyl-4,5-dimethoxyoxan-3-yl]oxy-4,5-dimethoxyoxan-3-yl] 4-oxopentanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=CC=C3)N=C2SC4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations