Geometry & MOs

Info

ID:

321269

PubChem CID:

126665640

Reduced:

ClO2F3N3H5C10 (1)

Stoich.:

AB2C3D3E5F10 (1)

Weight, g/mol:

713.240736

ΔHf, kcal/mol:

-160.99

Dipole, Da:

5.05

IP(EA), eV:

 -10.28(-1.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[5-[[5-[1-[[(R)-tert-butylsulfinyl]amino]-3-cyclopropyl-1-pyridin-3-ylpropyl]-2-fluorophenyl]carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-methanimidoylcarbamic acid

Drug info:

PubChemData

Smile

C1=CC(=NC=C1Cl)N2C(=CC(=N2)C(F)(F)F)C(=O)O

DOS

IR

Vibrations