Geometry & MOs

Info

ID:	231215
PubChem CID:	87573014
Reduced:	ClNF3H5C6 (1)
Stoich.:	ABC3D5E6 (1)
Weight, g/mol:	491.130204
ΔH_f, kcal/mol:	-37.41
Dipole, Da:	3.15
IP(EA), eV:	-10.25(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-3-[2-propyl-6-(trifluoromethyl)pyridin-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC(C2(C1=C2F)F)(F)Cl.N

DOS

IR

Vibrations