Geometry & MOs

Info

ID:

392214

PubChem CID:

135013706

Reduced:

SN3O13C27H35 (1)

Stoich.:

AB3C13D27E35 (1)

Weight, g/mol:

889.25166

ΔHf, kcal/mol:

-546.72

Dipole, Da:

6.94

IP(EA), eV:

 -8.86(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(5S,6S)-3,4,5-tribenzoyloxy-6-[[(2S)-3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)propyl]carbamothioylamino]oxan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

CC(=O)OCC1[C@H](C(C(C(O1)NC(=S)NC[C@@H](C(=O)OC)NC(=O)OCC2=CC=CC=C2)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations