Geometry & MOs

Info

ID:

406603

PubChem CID:

135078125

Reduced:

NSO16H49C57 (1)

Stoich.:

ABC16D49E57 (1)

Weight, g/mol:

681.166867

ΔHf, kcal/mol:

-471.56

Dipole, Da:

6.04

IP(EA), eV:

 -8.85(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,4,5-tribenzoyloxy-6-(4,5-dihydro-1,3-oxazol-2-ylsulfanyl)oxan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

CC1(OC2C(OC(C(C2O1)OC(=O)C3=CC=CC=C3)OC4C(OC(C(C4OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)SC7=NC8=CC=CC=C8O7)COC(=O)C9=CC=CC=C9)COC(=O)C1=CC=CC=C1)C

DOS

IR

Vibrations