Geometry & MOs

Info

ID:	30649
PubChem CID:	841620
Reduced:	NO2H6C8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	261.129969
ΔH_f, kcal/mol:	-70.46
Dipole, Da:	8.36
IP(EA), eV:	-9.49(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C(=O)O)C2=CC=C(O2)/C=C(/C#N)\C(=O)N

DOS

IR

Vibrations