Geometry & MOs

Info

ID:	14431
PubChem CID:	411299
Reduced:	SN2C8H17 (2)
Stoich.:	AB2C8D17 (2)
Weight, g/mol:	346.222489
ΔH_f, kcal/mol:	-23.41
Dipole, Da:	1.84
IP(EA), eV:	-8.84(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(N'-butylcarbamimidoyl)sulfanylhexyl N'-butylcarbamimidothioate

Drug info:

PubChemData

Smile

CCCCN=C(N)SCCCCCCSC(=NCCCC)N

DOS

IR

Vibrations