Geometry & MOs

Info

ID:

47461

PubChem CID:

10532941

Reduced:

O7N9C36H53 (1)

Stoich.:

A7B9C36D53 (1)

Weight, g/mol:

723.146353

ΔHf, kcal/mol:

-264.55

Dipole, Da:

8.55

IP(EA), eV:

 -9.01(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3R,4S,5R,6R)-2-(acetyloxymethyl)-6-[(2R,3R,4S,5R)-2-(acetyloxymethyl)-4,5-dimethoxy-6-(2,2,2-trichloroethanimidoyl)oxyoxan-3-yl]oxy-4,5-dimethoxyoxan-3-yl] 4-oxopentanoate

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N=[N+]=[N-])NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC(=O)OC(C)(C)C)NC(=O)[C@@H](CC2=CNC3=CC=CC=C32)N

DOS

IR

Vibrations