Geometry & MOs

Info

ID:	251110
PubChem CID:	103101540
Reduced:	N4O4C9H12 (1)
Stoich.:	A4B4C9D12 (1)
Weight, g/mol:	411.95899
ΔH_f, kcal/mol:	-144.43
Dipole, Da:	5.16
IP(EA), eV:	-10.14(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-iodobenzoic acid

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C(=O)C1=C(NC=N1)C(=O)O

DOS

IR

Vibrations