Geometry & MOs

Info

ID:

312572

PubChem CID:

126606541

Reduced:

F3O5C33H41 (1)

Stoich.:

A3B5C33D41 (1)

Weight, g/mol:

294.11619

ΔHf, kcal/mol:

-393.83

Dipole, Da:

5.5

IP(EA), eV:

 -9.13(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(1R,4S,6R)-7-[fluoro(methylamino)amino]-4,5-dihydroxy-7-methyl-2-oxa-7lambda4-thiabicyclo[4.1.0]heptan-3-yl]methylamino]acetonitrile

Drug info:

PubChemData

Smile

CC(C)(C)CC(C(=O)OC(C)(C)C(C)(C)OC1=CC2=C(C=C1)C=C(C(=O)O2)C3=CC=CC=C3C(F)(F)F)C(C)(C)C

DOS

IR

Vibrations