Geometry & MOs

Info

ID:

325171

PubChem CID:

126681740

Reduced:

FSO4N6C38H47 (1)

Stoich.:

ABC4D6E38F47 (1)

Weight, g/mol:

708.345775

ΔHf, kcal/mol:

-114.24

Dipole, Da:

3.13

IP(EA), eV:

 -8.49(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations