Geometry & MOs

Info

ID:	51094
PubChem CID:	12013717
Reduced:	SC8H13 (1)
Stoich.:	AB8C13 (1)
Weight, g/mol:	224.159872
ΔH_f, kcal/mol:	44.04
Dipole, Da:	1.26
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.873755
Charge, e:	0

Chem-info

IUPAC name:

1-(3,3-dimethylbut-1-ynyl)-2,2,3,3-tetramethyl-1-methylsulfanylcyclopropane

Drug info:

PubChemData

Smile

CC(C)(C)[CH]C#CSC

DOS

IR

Vibrations