Geometry & MOs

Info

ID:	388549
PubChem CID:	134989478
Reduced:	ClPN2S2C8H18 (1)
Stoich.:	ABC2D2E8F18 (1)
Weight, g/mol:	168.11503
ΔH_f, kcal/mol:	25.11
Dipole, Da:	4.83
IP(EA), eV:	-7.83(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4Z)-2,5-dimethyl-3,6,7,8-tetrahydro-2H-oxonin-9-one

Drug info:

PubChemData

Smile

CN(C)C(=PC(=[N+](C)C)SC)SC.[Cl-]

DOS

IR

Vibrations