Geometry & MOs

Info

ID:

45185

PubChem CID:

10508874

Reduced:

S2O9C36H54 (1)

Stoich.:

A2B9C36D54 (1)

Weight, g/mol:

697.297996

ΔHf, kcal/mol:

-409.38

Dipole, Da:

0.59

IP(EA), eV:

 -9.13(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R,4R,5S)-5-(benzylamino)-6-diethoxyphosphoryl-6,6-difluoro-1,3,4-tris(phenylmethoxy)hexan-2-ol

Drug info:

PubChemData

Smile

CC1=CCCC([C@@H]1CC[C@]2([C@@H]3CC[C@@]4([C@@H]([C@]3(CC[C@@H]2O)C)CC[C@]5([C@H]4CC6=C(C=CC(=C65)OS(=O)(=O)O)OS(=O)(=O)O)C)C)C)(C)C

DOS

IR

Vibrations