Geometry & MOs

Info

ID:	19914
PubChem CID:	574977
Reduced:	NSC13H21 (1)
Stoich.:	ABC13D21 (1)
Weight, g/mol:	223.139471
ΔH_f, kcal/mol:	-8.38
Dipole, Da:	2.13
IP(EA), eV:	-9.16(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazole

Drug info:

PubChemData

Smile

C1CCCCCC2=C(CCCC1)N=CS2

DOS

IR

Vibrations