Geometry & MOs

Info

ID:	34328
PubChem CID:	7890783
Reduced:	ClN3O5H16C17 (1)
Stoich.:	AB3C5D16E17 (1)
Weight, g/mol:	406.119858
ΔH_f, kcal/mol:	-147.13
Dipole, Da:	2.75
IP(EA), eV:	-9.02(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-methoxy-5-sulfamoylbenzoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)C(=O)NNC(=O)COC(=O)C2=CC=C(C=C2)N

DOS

IR

Vibrations