Geometry & MOs

Info

ID:

321276

PubChem CID:

126665649

Reduced:

F3N4O4H29C39 (1)

Stoich.:

A3B4C4D29E39 (1)

Weight, g/mol:

756.308088

ΔHf, kcal/mol:

-114.23

Dipole, Da:

4.58

IP(EA), eV:

 -8.36(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[[3-[5-[[5-[1-[[(R)-tert-butylsulfinyl]amino]-3-cyclopropyl-1-pyridin-3-ylpropyl]-2-fluorophenyl]carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC(=C(C=C2)OCC3=CC=CC=C3)C(C4=CC(=CC=C4)NC(=O)C5=CC(=NN5C6=CC=CC(=C6)C#N)C(F)(F)F)O

DOS

IR

Vibrations