Geometry & MOs

Info

ID:	21544
PubChem CID:	588881
Reduced:	SN2C6H12 (1)
Stoich.:	AB2C6D12 (1)
Weight, g/mol:	144.07212
ΔH_f, kcal/mol:	6.11
Dipole, Da:	4.17
IP(EA), eV:	-9.07(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4,5,6,7,8-hexahydro-1,3-diazocine-2-thiol

Drug info:

PubChemData

Smile

C1CCNC(=NCC1)S

DOS

IR

Vibrations