Geometry & MOs

Info

ID:	214403
PubChem CID:	84981958
Reduced:	ClN2S2O5C13H17 (1)
Stoich.:	AB2C2D5E13F17 (1)
Weight, g/mol:	415.153206
ΔH_f, kcal/mol:	-199.25
Dipole, Da:	1.62
IP(EA), eV:	-9.09(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(carbamoylamino)-2-oxoethyl] 4-benzylidene-2,3-dihydro-1H-acridine-9-carboxylate

Drug info:

PubChemData

Smile

CSCCC(C(=O)OCC(=O)N)NS(=O)(=O)C1=CC=C(C=C1)Cl

DOS

IR

Vibrations