Geometry & MOs

Info

ID:

321257

PubChem CID:

126665617

Reduced:

FOSN3C22H30 (1)

Stoich.:

ABCD3E22F30 (1)

Weight, g/mol:

737.315952

ΔHf, kcal/mol:

-35.52

Dipole, Da:

5.22

IP(EA), eV:

 -8.44(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[[3-[5-[[5-[1-[[(R)-tert-butylsulfinyl]amino]-1-(4-cyanophenyl)-3-cyclopropylpropyl]-2-fluorophenyl]carbamoyl]-3-cyanopyrazol-1-yl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)C(CCC2CC2)(C3=CC(=C(C=C3)F)N)N[S@](=O)C(C)(C)C

DOS

IR

Vibrations