Geometry & MOs

Info

ID:	12588
PubChem CID:	140916
Reduced:	SC5H10 (2)
Stoich.:	AB5C10 (2)
Weight, g/mol:	204.100643
ΔH_f, kcal/mol:	-41.87
Dipole, Da:	2.29
IP(EA), eV:	-8.36(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-4,6-dimethyl-1,3-dithiane

Drug info:

PubChemData

Smile

CC1CC(SC(S1)C(C)(C)C)C

DOS

IR

Vibrations