Geometry & MOs

Info

ID:	164219
PubChem CID:	74382385
Reduced:	ClSN3O3F4H14C19 (1)
Stoich.:	ABC3D3E4F14G19 (1)
Weight, g/mol:	553.145854
ΔH_f, kcal/mol:	-205.61
Dipole, Da:	6.01
IP(EA), eV:	-9.58(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3,5-difluoro-4-(methanesulfonamido)phenyl]methyl]-3-[2-(2-phenylethyl)-6-(2,2,2-trifluoroethyl)pyridin-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=C(C=C(C=C1F)CNC(=O)C=CC2=C(N=C(C=C2)C(F)(F)F)Cl)C#C

DOS

IR

Vibrations