Geometry & MOs

Info

ID:	30650
PubChem CID:	841621
Reduced:	SN3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	261.129969
ΔH_f, kcal/mol:	37.06
Dipole, Da:	5.81
IP(EA), eV:	-8.62(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@]2(C1)NC(=S)N(N2)C3=CC=CC=C3

DOS

IR

Vibrations