Geometry & MOs

Info

ID:	142408
PubChem CID:	53029790
Reduced:	SN3O3C22H25 (1)
Stoich.:	AB3C3D22E25 (1)
Weight, g/mol:	411.161663
ΔH_f, kcal/mol:	-70.85
Dipole, Da:	6.85
IP(EA), eV:	-9.39(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations