Geometry & MOs

Info

ID:	231267
PubChem CID:	87573292
Reduced:	NO2S2C11H11 (1)
Stoich.:	AB2C2D11E11 (1)
Weight, g/mol:	536.150524
ΔH_f, kcal/mol:	-44.71
Dipole, Da:	2.03
IP(EA), eV:	-9.03(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-(benzylamino)-6-(trifluoromethyl)pyridin-3-yl]-N-[1-[3-fluoro-4-(methanesulfonamido)phenyl]ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)C(CCS)C(=O)O

DOS

IR

Vibrations