Geometry & MOs

Info

ID:	17536
PubChem CID:	503684
Reduced:	ClSN2O4H17C24 (1)
Stoich.:	ABC2D4E17F24 (1)
Weight, g/mol:	464.059756
ΔH_f, kcal/mol:	-64.23
Dipole, Da:	3.58
IP(EA), eV:	-9.16(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-[2-(1,3-dioxoisoindol-2-yl)ethyl] N-benzoyl-N-(4-chlorophenyl)carbamothioate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)N(C2=CC=C(C=C2)Cl)C(=S)OCCN3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations