Geometry & MOs

Info

ID:	124280
PubChem CID:	50876944
Reduced:	BrNSCl2O3C11H12 (1)
Stoich.:	ABCD2E3F11G12 (1)
Weight, g/mol:	308.083078
ΔH_f, kcal/mol:	-114.63
Dipole, Da:	5.4
IP(EA), eV:	-9.03(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-(1,3-dioxoisoindol-2-yl)-3-methylsulfanylpropyl]carbamate

Drug info:

PubChemData

Smile

C1CC(OC1)CNS(=O)(=O)C2=CC(=C(C=C2Br)Cl)Cl

DOS

IR

Vibrations