Geometry & MOs

Info

ID:	408628
PubChem CID:	135081396
Reduced:	BC15H29 (1)
Stoich.:	AB15C29 (1)
Weight, g/mol:	194.90379
ΔH_f, kcal/mol:	-72.49
Dipole, Da:	0.29
IP(EA), eV:	-9.44(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-2lambda4,4,7-trithia-3-azabicyclo[3.3.0]octa-1(8),2,5-triene

Drug info:

PubChemData

Smile

B1(CC[C@@H]2[C@@H]1CCCCC2)C(C)(C)C(C)C

DOS

IR

Vibrations