Geometry & MOs

Info

ID:

82664

PubChem CID:

49856301

Reduced:

NO7C39H43 (1)

Stoich.:

AB7C39D43 (1)

Weight, g/mol:

379.163102

ΔHf, kcal/mol:

-186.9

Dipole, Da:

6.86

IP(EA), eV:

 -7.96(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,4S,5S,6S)-5-acetyloxy-4,6-dimethyl-4-(phenylmethoxycarbonylamino)oxan-2-yl] acetate

Drug info:

PubChemData

Smile

C/C=C(\C)/C1=CC(=O)C2=C(O1)C3=C(C4=C(C=CC(=C4C(=C3C=C2C)OC)[C@H]5C[C@H]([C@@H]([C@H](O5)C)OCC6=CC=CC=C6)N(C)C)O)OC

DOS

IR

Vibrations