Geometry & MOs

Info

ID:	124655
PubChem CID:	50890997
Reduced:	BrNSCl2O4H12C15 (1)
Stoich.:	ABCD2E4F12G15 (1)
Weight, g/mol:	492.96115
ΔH_f, kcal/mol:	-117.83
Dipole, Da:	3.98
IP(EA), eV:	-9.68(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-(N-(4-chlorophenyl)sulfonyl-4-iodoanilino)acetate

Drug info:

PubChemData

Smile

COC(=O)CN(C1=CC=CC=C1Br)S(=O)(=O)C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations