Geometry & MOs

Info

ID:	182703
PubChem CID:	76929483
Reduced:	OSN4C11H20 (1)
Stoich.:	ABC4D11E20 (1)
Weight, g/mol:	270.151433
ΔH_f, kcal/mol:	-34.26
Dipole, Da:	4.96
IP(EA), eV:	-9.08(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-(methylamino)-6-[(4-oxo-1,3-diazinan-2-yl)sulfanyl]hexanenitrile

Drug info:

PubChemData

Smile

CC(CCCCSC1NCCC(=O)N1)(C#N)N

DOS

IR

Vibrations