Geometry & MOs

Info

ID:

222883

PubChem CID:

85332890

Reduced:

SF2N3O6C28H35 (1)

Stoich.:

AB2C3D6E28F35 (1)

Weight, g/mol:

580.283175

ΔHf, kcal/mol:

-280.75

Dipole, Da:

4.57

IP(EA), eV:

 -9.17(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[[4-[4-[[1-[(1-cyanocyclopropyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]phenyl]-1,3-thiazol-2-yl]methyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CCCCS(=O)(=O)CC(C(=O)NC(CC1=CC(=CC(=C1)F)F)C(CNCC2=CC(=CC=C2)C#C)O)NC(=O)OC

DOS

IR

Vibrations