Geometry & MOs

Info

ID:	142402
PubChem CID:	53029718
Reduced:	SN3O4C21H23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	417.09139
ΔH_f, kcal/mol:	-90.79
Dipole, Da:	6.67
IP(EA), eV:	-9.04(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-benzylsulfonyl-3-(4-chlorophenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC3(CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)NC2=O

DOS

IR

Vibrations