Geometry & MOs

Info

ID:

309750

PubChem CID:

126557052

Reduced:

SF2O2N5H19C23 (1)

Stoich.:

AB2C2D5E19F23 (1)

Weight, g/mol:

575.091568

ΔHf, kcal/mol:

47.37

Dipole, Da:

3.65

IP(EA), eV:

 -9.15(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,5S,6S)-3-amino-5-[5-[(Z)-2-(5-chloropyridin-2-yl)-2-fluoroethenyl]-2-fluorophenyl]-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-1-yl]methyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

C[C@]1(C2=C[C@@]2(SC(=N1)N)C(=O)NC)C3=C(C=CC(=C3)/C=C(/C4=CN=C(C=N4)OCC#C)\F)F

DOS

IR

Vibrations