Geometry & MOs

Info

ID:	231532
PubChem CID:	87574055
Reduced:	F3O3N4H9C14 (1)
Stoich.:	A3B3C4D9E14 (1)
Weight, g/mol:	505.145854
ΔH_f, kcal/mol:	-167.44
Dipole, Da:	3.68
IP(EA), eV:	-9.72(-1.94)
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-(2-methylpropyl)-6-(trifluoromethyl)pyridin-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

COC(=O)C1=C(N2C=C(C=C(C2=N1)C(F)(F)F)C3=CNN=C3)C=O

DOS

IR

Vibrations