Geometry & MOs

Info

ID:	227790
PubChem CID:	87562492
Reduced:	ClSN3O3F4H16C18 (1)
Stoich.:	ABC3D3E4F16G18 (1)
Weight, g/mol:	429.077025
ΔH_f, kcal/mol:	-273.59
Dipole, Da:	9.04
IP(EA), eV:	-9.17(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2R)-2-amino-3-(4-fluorophenyl)sulfonyl-2-methyl-3-oxopropyl]amino]-2-(trifluoromethyl)benzonitrile

Drug info:

PubChemData

Smile

C[C@@](CNC1=CC(=C(C=C1)C#N)C(F)(F)F)(C(=O)S(=O)(=O)C2=CC=C(C=C2)F)[NH3+].[Cl-]

DOS

IR

Vibrations