Geometry & MOs

Info

ID:

45075

PubChem CID:

10507784

Reduced:

SN3O5C33H49 (1)

Stoich.:

AB3C5D33E49 (1)

Weight, g/mol:

600.184291

ΔHf, kcal/mol:

-222.35

Dipole, Da:

2.91

IP(EA), eV:

 -8.73(0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-acetyl-4-methyl-3-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenyl] benzoate

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](CN(CC1=CC=CC=C1)[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCSC)C(=O)OC)NC(=O)OC(C)(C)C

DOS

IR

Vibrations