Geometry & MOs

Info

ID:	19549
PubChem CID:	567499
Reduced:	SC8H14 (1)
Stoich.:	AB8C14 (1)
Weight, g/mol:	142.081622
ΔH_f, kcal/mol:	-26.72
Dipole, Da:	2.55
IP(EA), eV:	-8.46(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,3a,4,5,6,7,7a-octahydro-1-benzothiophene

Drug info:

PubChemData

Smile

C1CCC2C(C1)CCS2

DOS

IR

Vibrations