Geometry & MOs

Info

ID:	34426
PubChem CID:	7973067
Reduced:	SN2O5C16H16 (1)
Stoich.:	AB2C5D16E16 (1)
Weight, g/mol:	410.070321
ΔH_f, kcal/mol:	-99.46
Dipole, Da:	6.85
IP(EA), eV:	-9.47(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2-phenylethylamino)ethyl] 2-chloro-5-(methylsulfamoyl)benzoate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)/C=C/1\NC(=O)/C(=C\C2=CC(=C(C=C2)O)[N+](=O)[O-])/S1

DOS

IR

Vibrations