Geometry & MOs

Info

ID:

382038

PubChem CID:

134972943

Reduced:

NPSO16C31H42 (1)

Stoich.:

ABCD16E31F42 (1)

Weight, g/mol:

665.298867

ΔHf, kcal/mol:

-719.9

Dipole, Da:

2.47

IP(EA), eV:

 -9.1(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (3R,4S)-3-acetamido-4-phenylmethoxy-2-[(1S,2R)-1,2,3-tris(phenylmethoxy)propyl]-3,4-dihydro-2H-pyran-6-carboxylate

Drug info:

PubChemData

Smile

CCOP(OCC)O[C@]1(C(C([C@H](C(O1)[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)OC(=S)C2=CC=CC=C2)C(=O)OC

DOS

IR

Vibrations