Geometry & MOs

Info

ID:

325172

PubChem CID:

126681745

Reduced:

SO4N6C40H48 (1)

Stoich.:

AB4C6D40E48 (1)

Weight, g/mol:

745.342167

ΔHf, kcal/mol:

-49.06

Dipole, Da:

9.66

IP(EA), eV:

 -8.72(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[[3-[5-[[5-[1-[[(R)-tert-butylsulfinyl]amino]-1-(6-carbamoylpyridin-3-yl)-3-cyclopropylpropyl]-2-fluorophenyl]carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)C(=O)NC2=CC=CC(=C2)C(CCC3CC3)(C4=CC=CC(=C4)C#N)N[S@](=O)C(C)(C)C)C5=CC=CC(=C5)CNC(=O)OC(C)(C)C

DOS

IR

Vibrations