Geometry & MOs

Info

ID:	124760
PubChem CID:	50895436
Reduced:	SN2Cl3O6H11C15 (1)
Stoich.:	AB2C3D6E11F15 (1)
Weight, g/mol:	467.07659
ΔH_f, kcal/mol:	-136.88
Dipole, Da:	6.31
IP(EA), eV:	-9.68(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-(N-(4-bromophenyl)sulfonyl-2,6-diethylanilino)acetate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)N(CCC(=O)O)C2=CC(=C(C=C2Cl)Cl)Cl

DOS

IR

Vibrations