Geometry & MOs

Info

ID:

321273

PubChem CID:

126665644

Reduced:

OSF3N6H25C26 (1)

Stoich.:

ABC3D6E25F26 (1)

Weight, g/mol:

849.365937

ΔHf, kcal/mol:

-38.95

Dipole, Da:

3.35

IP(EA), eV:

 -8.98(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-tert-butyl-N-[7-[5-[[5-[1-[[(R)-tert-butylsulfinyl]amino]-3-cyclopropyl-1-pyridin-4-ylpropyl]-2-fluorophenyl]carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]isoquinolin-1-yl]carbamate

Drug info:

PubChemData

Smile

CN(C1CC1)C(C2=CC(=CC=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CN)C(F)(F)F)C5=NC=CS5

DOS

IR

Vibrations