Geometry & MOs

Info

ID:	161642
PubChem CID:	57392229
Reduced:	O2N4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	316.088164
ΔH_f, kcal/mol:	7.4
Dipole, Da:	5.55
IP(EA), eV:	-8.53(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(E)-2-cyanoethenyl]sulfonylphenyl]-2-methyl-N-prop-2-ynylpropanamide

Drug info:

PubChemData

Smile

CC(C)CNC1=NC=C(C=C1)C2=CN=NC3=CC(=C(C=C32)OC)OC

DOS

IR

Vibrations