Geometry & MOs

Info

ID:	403892
PubChem CID:	135062389
Reduced:	SO2N3H25C28 (1)
Stoich.:	AB2C3D25E28 (1)
Weight, g/mol:	204.089878
ΔH_f, kcal/mol:	56.14
Dipole, Da:	6.33
IP(EA), eV:	-8.46(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(E)-2-ethoxyethenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C(N(C(=N2)C3=CC=CC=C3)CC4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations