Geometry & MOs

Info

ID:	53523
PubChem CID:	14716438
Reduced:	ClON3C17H20 (1)
Stoich.:	ABC3D17E20 (1)
Weight, g/mol:	201.028206
ΔH_f, kcal/mol:	12.8
Dipole, Da:	2.58
IP(EA), eV:	-8.45(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylsulfanyl-1-thia-4-azaspiro[4.4]non-3-en-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)N2NC3=C(N2)C=C(C=C3)Cl)O)C(C)(C)C

DOS

IR

Vibrations