Geometry & MOs

Info

ID:	373439
PubChem CID:	131315348
Reduced:	BrClNSH7C11 (1)
Stoich.:	ABCDE7F11 (1)
Weight, g/mol:	231.092915
ΔH_f, kcal/mol:	54.27
Dipole, Da:	2.17
IP(EA), eV:	-9.09(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-oxa-9-thia-1-azaspiro[5.5]undecane-2-carboxylate

Drug info:

PubChemData

Smile

C1=C(C(=CC2=C1C(=CS2)CC#N)Cl)CBr

DOS

IR

Vibrations