Geometry & MOs

Info

ID:	313861
PubChem CID:	126618234
Reduced:	FSN2O4H11C16 (1)
Stoich.:	ABC2D4E11F16 (1)
Weight, g/mol:	390.063405
ΔH_f, kcal/mol:	-115.86
Dipole, Da:	4.53
IP(EA), eV:	-9.68(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-hydroxy-3-[1-(4-nitrophenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl]prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1F)S(=O)(=O)N2C=CC3=CC(=CN=C32)/C=C/C(=O)O

DOS

IR

Vibrations