Geometry & MOs

Info

ID:	142407
PubChem CID:	53029789
Reduced:	SN3O3C22H25 (1)
Stoich.:	AB3C3D22E25 (1)
Weight, g/mol:	411.161663
ΔH_f, kcal/mol:	-69.67
Dipole, Da:	6.04
IP(EA), eV:	-9.3(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)S(=O)(=O)N2CCC3(CC2)NC(=O)C(=N3)C4=CC=CC(=C4)C

DOS

IR

Vibrations