Geometry & MOs

Info

ID:	182670
PubChem CID:	76921936
Reduced:	OSN4C11H18 (1)
Stoich.:	ABC4D11E18 (1)
Weight, g/mol:	303.161663
ΔH_f, kcal/mol:	-1.49
Dipole, Da:	0.77
IP(EA), eV:	-9.37(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CSC1NCCC(=O)N1)(C#N)NC2CC2

DOS

IR

Vibrations