Geometry & MOs

Info

ID:	22469
PubChem CID:	597345
Reduced:	SN3C12H23 (1)
Stoich.:	AB3C12D23 (1)
Weight, g/mol:	241.161269
ΔH_f, kcal/mol:	2.53
Dipole, Da:	1.3
IP(EA), eV:	-8.6(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-1,2,4-triazaspiro[4.6]undec-3-ene-3-thiol

Drug info:

PubChemData

Smile

CC(C)(C)N1C(=NC2(N1)CCCCCC2)S

DOS

IR

Vibrations