Geometry & MOs

Info

ID:	182705
PubChem CID:	76929486
Reduced:	OSN4C14H26 (1)
Stoich.:	ABC4D14E26 (1)
Weight, g/mol:	298.182733
ΔH_f, kcal/mol:	-45.46
Dipole, Da:	3.27
IP(EA), eV:	-9.19(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations