Geometry & MOs

Info

ID:	366896
PubChem CID:	127321805
Reduced:	SN2O3C21H28 (1)
Stoich.:	AB2C3D21E28 (1)
Weight, g/mol:	367.100892
ΔH_f, kcal/mol:	-93.57
Dipole, Da:	2.87
IP(EA), eV:	-9.37(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-azaspiro[5.5]undec-9-en-2-yl)-2-(4-chlorophenyl)sulfonylethanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)NC2CC2)C(=O)N3CCCC4(C3)CCC=CC4

DOS

IR

Vibrations