Geometry & MOs

Info

ID:	428642
PubChem CID:	135167839
Reduced:	NS3C20H37 (1)
Stoich.:	AB3C20D37 (1)
Weight, g/mol:	221.993809
ΔH_f, kcal/mol:	-20.52
Dipole, Da:	3.46
IP(EA), eV:	-8.92(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCCCCCCCCCCSC(=S)SC(C)(CCCC)C#N

DOS

IR

Vibrations