Geometry & MOs

Info

ID:	366897
PubChem CID:	127321806
Reduced:	ClNSO3C18H22 (1)
Stoich.:	ABCD3E18F22 (1)
Weight, g/mol:	297.139865
ΔH_f, kcal/mol:	-116.76
Dipole, Da:	3.9
IP(EA), eV:	-9.55(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-azaspiro[5.5]undec-9-en-2-yl-(1,1-dioxothiolan-3-yl)methanone

Drug info:

PubChemData

Smile

C1CC2(CCC=CC2)CN(C1)C(=O)CS(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations