Geometry & MOs

Info

ID:	34307
PubChem CID:	7890711
Reduced:	NSCl2O5H13C15 (1)
Stoich.:	ABC2D5E13F15 (1)
Weight, g/mol:	383.023036
ΔH_f, kcal/mol:	-165.6
Dipole, Da:	6.85
IP(EA), eV:	-9.62(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-chlorophenyl)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OCC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations