Geometry & MOs

Info

ID:	124658
PubChem CID:	50891172
Reduced:	INSCl2O4H16C17 (1)
Stoich.:	ABCD2E4F16G17 (1)
Weight, g/mol:	503.9852
ΔH_f, kcal/mol:	-122.23
Dipole, Da:	3.9
IP(EA), eV:	-9.22(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 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(=C(C=C2)Cl)Cl

DOS

IR

Vibrations