Geometry & MOs

Info

ID:

425347

PubChem CID:

135125999

Reduced:

SF2N4H16C19 (1)

Stoich.:

AB2C4D16E19 (1)

Weight, g/mol:

602.229586

ΔHf, kcal/mol:

19.3

Dipole, Da:

2.53

IP(EA), eV:

 -9.21(-1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(R)-tert-butylsulfinyl]amino]-2-[5-(5,5-dimethyl-1,3-dioxan-2-yl)-2,3-difluorophenyl]-N-[(4-methoxyphenyl)methyl]-N-methylpropane-1-sulfonamide

Drug info:

PubChemData

Smile

C[C@]1(CCSC(=N1)N)C2=C(C=CC(=C2)/C=C(/C3=NC=C(C=C3)C#N)\F)F

DOS

IR

Vibrations