Geometry & MOs

Info

ID:	230468
PubChem CID:	87570981
Reduced:	N3O3C12H13 (1)
Stoich.:	A3B3C12D13 (1)
Weight, g/mol:	352.88549
ΔH_f, kcal/mol:	-97.42
Dipole, Da:	6.91
IP(EA), eV:	-9.04(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-3-isocyanatosulfonylbenzoic acid

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=CC(=C2)N/C=N\C(=O)O

DOS

IR

Vibrations