Geometry & MOs

Info

ID:	313863
PubChem CID:	126618236
Reduced:	BrSN3O4H10C13 (1)
Stoich.:	ABC3D4E10F13 (1)
Weight, g/mol:	430.094705
ΔH_f, kcal/mol:	-15.82
Dipole, Da:	4.8
IP(EA), eV:	-9.29(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-hydroxy-3-[3-[[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]sulfonyl]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CN(C2=C1C=C(C=N2)Br)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations