Geometry & MOs

Info

ID:	124659
PubChem CID:	50891212
Reduced:	ISN2O6C17H17 (1)
Stoich.:	ABC2D6E17F17 (1)
Weight, g/mol:	489.96955
ΔH_f, kcal/mol:	-111.41
Dipole, Da:	4.18
IP(EA), eV:	-9.69(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(3-iodo-N-(3-nitrophenyl)sulfonylanilino)acetate

Drug info:

PubChemData

Smile

CC(C)OC(=O)CN(C1=CC(=CC=C1)I)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

DOS

IR

Vibrations