Geometry & MOs

Info

ID:

408849

PubChem CID:

135081619

Reduced:

O7C26H52 (1)

Stoich.:

A7B26C52 (1)

Weight, g/mol:

394.130005

ΔHf, kcal/mol:

-398.66

Dipole, Da:

7.54

IP(EA), eV:

 -9.98(0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,4S)-3-acetamido-4-(diaminomethylideneamino)-2-[(2R,3R,4S)-5,5-difluoro-3,4-dihydroxyoxan-2-yl]-3,4-dihydro-2H-pyran-6-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCOC[C@H](CO[C@H]1C[C@H]([C@H]([C@H](O1)CO)O)O)OC

DOS

IR

Vibrations