Geometry & MOs

Info

ID:	165707
PubChem CID:	74585764
Reduced:	ClN3O3C28H28 (1)
Stoich.:	AB3C3D28E28 (1)
Weight, g/mol:	347.083231
ΔH_f, kcal/mol:	-32.32
Dipole, Da:	9.06
IP(EA), eV:	-8.8(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-(1,1-dioxothiolan-3-yl)-methylazanium

Drug info:

PubChemData

Smile

C1CN(CC[NH+]1C(C2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4)C(=O)[O-])CC5=CC(=CC=C5)Cl

DOS

IR

Vibrations