Geometry & MOs

Info

ID:	182269
PubChem CID:	76869033
Reduced:	NO4C19H27 (1)
Stoich.:	AB4C19D27 (1)
Weight, g/mol:	355.025677
ΔH_f, kcal/mol:	-136.18
Dipole, Da:	2.9
IP(EA), eV:	-8.14(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2-methylsulfonylethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCN(CC1CCCO1)C(=O)COC2=C(C=C(C=C2)C=CC)OC

DOS

IR

Vibrations