Geometry & MOs

Info

ID:	403973
PubChem CID:	135063704
Reduced:	N3C13H15 (1)
Stoich.:	A3B13C15 (1)
Weight, g/mol:	357.078327
ΔH_f, kcal/mol:	73.41
Dipole, Da:	4.68
IP(EA), eV:	-9.21(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-[(E)-2-cyanoethenyl]-N-pyridin-2-ylsulfonylanilino]acetate

Drug info:

PubChemData

Smile

C1CC2CC1CC2N3C4=CC=CC=C4N=N3

DOS

IR

Vibrations