Geometry & MOs

Info

ID:	313849
PubChem CID:	126618217
Reduced:	SN4O6H16C19 (1)
Stoich.:	AB4C6D16E19 (1)
Weight, g/mol:	363.068905
ΔH_f, kcal/mol:	-67.33
Dipole, Da:	3.51
IP(EA), eV:	-9.56(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[1-(4-fluorophenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl]-N-hydroxyprop-2-enamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C/C(=O)NO)S(=O)(=O)N2C=CC3=CC(=CN=C32)/C=C/C(=O)NO

DOS

IR

Vibrations