Geometry & MOs

Info

ID:	142399
PubChem CID:	53029715
Reduced:	SN3O3C20H21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	397.146013
ΔH_f, kcal/mol:	-48.84
Dipole, Da:	5.01
IP(EA), eV:	-9.72(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC12NC(=O)C(=N2)C3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4

DOS

IR

Vibrations