Geometry & MOs

Info

ID:	142405
PubChem CID:	53029721
Reduced:	SN3O3C20H21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	397.146013
ΔH_f, kcal/mol:	-51.94
Dipole, Da:	6.28
IP(EA), eV:	-9.35(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC3(CCN(CC3)S(=O)(=O)C4=CC=CC=C4)NC2=O

DOS

IR

Vibrations