Geometry & MOs

Info

ID:	17537
PubChem CID:	503685
Reduced:	SCl2N2O4H16C24 (1)
Stoich.:	AB2C2D4E16F24 (1)
Weight, g/mol:	498.020784
ΔH_f, kcal/mol:	-61.78
Dipole, Da:	6.46
IP(EA), eV:	-9.08(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=S)N(C3=CC=C(C=C3)Cl)C(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations