Geometry & MOs

Info

ID:

382056

PubChem CID:

134972971

Reduced:

SN4O7C13H16 (1)

Stoich.:

AB4C7D13E16 (1)

Weight, g/mol:

503.193751

ΔHf, kcal/mol:

-201.93

Dipole, Da:

4.99

IP(EA), eV:

 -9.36(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,6R)-5-acetyloxy-6-isothiocyanato-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-3-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1C(O[C@H](C(C1OC(=O)C)OC(=O)C)N=C=S)CN=[N+]=[N-]

DOS

IR

Vibrations