Geometry & MOs

Info

ID:	41867
PubChem CID:	8147453
Reduced:	SO2N4C23H26 (1)
Stoich.:	AB2C4D23E26 (1)
Weight, g/mol:	390.053311
ΔH_f, kcal/mol:	-16.79
Dipole, Da:	4.6
IP(EA), eV:	-8.56(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-chloro-5-[(1,3-dioxo-2-phenylinden-2-yl)amino]benzoate

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC3=C2C(=O)NC(=N3)CN4CCN(CC4)CC5=CC6=C(C=C5)OCC6

DOS

IR

Vibrations