Geometry & MOs

Info

ID:

397527

PubChem CID:

135030342

Reduced:

N3O4C19H29 (1)

Stoich.:

A3B4C19D29 (1)

Weight, g/mol:

1318.553487

ΔHf, kcal/mol:

-194.55

Dipole, Da:

4.75

IP(EA), eV:

-9.14(-0.38)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[(3R,6S)-2-[(3R,6R)-5-acetyloxy-2-[[(2R,5R)-3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3-phenylmethoxy-6-[(2-propan-2-ylsulfanylphenyl)methoxy]oxan-4-yl]oxy-6-methyl-4,5-bis(phenylmethoxy)oxan-3-yl] acetate

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CN1CC[C@@H]([C@]2(C1=O)C(=O)C3=C(N2)CCCC3)CO

DOS

IR

Vibrations