Geometry & MOs

Info

ID:	10941
PubChem CID:	109322
Reduced:	SC10H18 (1)
Stoich.:	AB10C18 (1)
Weight, g/mol:	170.112922
ΔH_f, kcal/mol:	-38.51
Dipole, Da:	2.25
IP(EA), eV:	-8.38(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-propan-2-yl-7-thiabicyclo[2.2.1]heptane

Drug info:

PubChemData

Smile

CC(C)C12CCC(S1)(CC2)C

DOS

IR

Vibrations