Geometry & MOs

Info

ID:	405134
PubChem CID:	135072663
Reduced:	NO2C19H21 (1)
Stoich.:	AB2C19D21 (1)
Weight, g/mol:	295.124215
ΔH_f, kcal/mol:	-30.58
Dipole, Da:	2.44
IP(EA), eV:	-9.39(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-N-(4-methylphenyl)sulfonylhex-5-enamide

Drug info:

PubChemData

Smile

COC(=O)NCC(CC=C)(C1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations