Geometry & MOs

Info

ID:

215379

PubChem CID:

85084645

Reduced:

S2N8O10C39H56 (1)

Stoich.:

A2B8C10D39E56 (1)

Weight, g/mol:

861.232757

ΔHf, kcal/mol:

-437.93

Dipole, Da:

9.47

IP(EA), eV:

 -8.83(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4,5-diacetyloxy-6-[4-(4-nitrobenzoyl)phenoxy]-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)N)NC(=O)C(CS)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C)NC(=O)C(CC2=CC=C(C=C2)O)N

DOS

IR

Vibrations