Geometry & MOs

Info

ID:	313848
PubChem CID:	126618216
Reduced:	SN2O4H16C20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	428.079055
ΔH_f, kcal/mol:	-69.8
Dipole, Da:	5.1
IP(EA), eV:	-9.07(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-hydroxy-3-[4-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CN(C2=C1C=C(C=N2)/C=C/C(=O)O)S(=O)(=O)C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations