Geometry & MOs

Info

ID:	30647
PubChem CID:	841618
Reduced:	ClNSO2C15H16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	261.129969
ΔH_f, kcal/mol:	-62.1
Dipole, Da:	4.18
IP(EA), eV:	-9.14(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,7S)-7-methyl-2-phenyl-1,2,4-triazaspiro[4.5]decane-3-thione

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NS(=O)(=O)C2=CC=C(C=C2)Cl)C

DOS

IR

Vibrations