Geometry & MOs

Info

ID:	160431
PubChem CID:	57309779
Reduced:	ClON2H15C17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	292.080301
ΔH_f, kcal/mol:	33.33
Dipole, Da:	7.1
IP(EA), eV:	-8.98(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(2-ethylsulfanylethyl) but-2-enedioate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C=CN=C2C3=CC(=CC=C3)Cl

DOS

IR

Vibrations