Geometry & MOs

Info

ID:	77566
PubChem CID:	49655490
Reduced:	S2O3N5H11C12 (1)
Stoich.:	A2B3C5D11E12 (1)
Weight, g/mol:	329.101171
ΔH_f, kcal/mol:	24.13
Dipole, Da:	9.28
IP(EA), eV:	-9.09(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-hydroxy-5-[[2-oxo-2-(pyridin-4-ylmethylamino)acetyl]amino]benzoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)NS(=O)(=O)C2=CC=CS2)N3C=NN=N3

DOS

IR

Vibrations