Geometry & MOs

Info

ID:	67465
PubChem CID:	46506527
Reduced:	SN2O4H8C9 (1)
Stoich.:	AB2C4D8E9 (1)
Weight, g/mol:	345.151098
ΔH_f, kcal/mol:	-104.71
Dipole, Da:	6.4
IP(EA), eV:	-9.72(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-phenyl-2-sulfanylidene-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=NS(=O)(=O)C2=CC=CC=C2N1

DOS

IR

Vibrations