Geometry & MOs

Info

ID:

443132

PubChem CID:

135257785

Reduced:

SN3O5F6H23C28 (1)

Stoich.:

AB3C5D6E23F28 (1)

Weight, g/mol:

640.194281

ΔHf, kcal/mol:

-377.92

Dipole, Da:

5.65

IP(EA), eV:

 -9.77(-1.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-(5-amino-2-fluoro-4-methanimidoylphenyl)-N-[(4-cyclohexylphenyl)methyl]-2-[methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanamide

Drug info:

PubChemData

Smile

C1CCC(C1)C2=CN=C(C=C2)CN(C3=C(C=C(C=C3)C(=O)O)F)C(=O)[C@H]4CCN4S(=O)(=O)C5=C(C(=C(C(=C5F)F)F)F)F

DOS

IR

Vibrations