Geometry & MOs

Info

ID:	342041
PubChem CID:	127264754
Reduced:	O2N4H14C15 (1)
Stoich.:	A2B4C14D15 (1)
Weight, g/mol:	329.085242
ΔH_f, kcal/mol:	27.47
Dipole, Da:	9.14
IP(EA), eV:	-8.76(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chlorophenyl)-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)prop-2-enamide

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C=CC2=NC(=O)C3=C(N2)C=CC(=C3)OC

DOS

IR

Vibrations