Geometry & MOs

Info

ID:

436578

PubChem CID:

135205606

Reduced:

SF3O4N8H19C21 (1)

Stoich.:

AB3C4D8E19F21 (1)

Weight, g/mol:

536.120207

ΔHf, kcal/mol:

-164.4

Dipole, Da:

4.42

IP(EA), eV:

 -9.54(-1.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,10S)-10-[6-[(5-cyanopyridine-2-carbonyl)amino]-3-fluoropyridin-2-yl]-10-(difluoromethyl)-1-oxo-1lambda6-thia-2,7,9-triazabicyclo[5.4.0]undeca-1,8-dien-8-yl]carbamic acid

Drug info:

PubChemData

Smile

C1CCN2C(=N[C@@](CS2(=NC1)=O)(C3=C(C=CC(=N3)NC(=O)C4=NC=C(C=C4)C#N)F)C(F)F)NC(=O)O

DOS

IR

Vibrations