Geometry & MOs

Info

ID:	182701
PubChem CID:	76929399
Reduced:	ClFO2N3C11H13 (1)
Stoich.:	ABC2D3E11F13 (1)
Weight, g/mol:	282.151433
ΔH_f, kcal/mol:	-78.06
Dipole, Da:	2.49
IP(EA), eV:	-9.22(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylamino)-2-methyl-5-[(4-oxo-1,3-diazinan-2-yl)sulfanyl]pentanenitrile

Drug info:

PubChemData

Smile

CCN(CC(=NO)N)C(=O)C1=C(C=CC=C1Cl)F

DOS

IR

Vibrations