Geometry & MOs

Info

ID:	17538
PubChem CID:	503686
Reduced:	ClSN2O5H15C22 (1)
Stoich.:	ABC2D5E15F22 (1)
Weight, g/mol:	454.03902
ΔH_f, kcal/mol:	-86.62
Dipole, Da:	6.14
IP(EA), eV:	-9.13(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-[2-(1,3-dioxoisoindol-2-yl)ethyl] N-(4-chlorophenyl)-N-(furan-2-carbonyl)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=CO4

DOS

IR

Vibrations