Geometry & MOs

Info

ID:

382055

PubChem CID:

134972970

Reduced:

S3N9O15C28H53 (1)

Stoich.:

A3B9C15D28E53 (1)

Weight, g/mol:

372.07397

ΔHf, kcal/mol:

-642.0

Dipole, Da:

12.91

IP(EA), eV:

 -8.65(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,6R)-4,5-diacetyloxy-2-(azidomethyl)-6-isothiocyanatooxan-3-yl] acetate

Drug info:

PubChemData

Smile

CO[C@@H]1C(C([C@@H](C(O1)CNC(=S)N[C@H]2C(C([C@@H](C(O2)CNC(=S)N[C@H]3C(C([C@@H](C(O3)CNC(=S)N[C@H]4C(C([C@H](C(O4)CN)O)N)O)O)O)O)O)N)O)O)O)O

DOS

IR

Vibrations