Geometry & MOs

Info

ID:	391930
PubChem CID:	135011123
Reduced:	SCl2N2H12C15 (1)
Stoich.:	AB2C2D12E15 (1)
Weight, g/mol:	290.139233
ΔH_f, kcal/mol:	54.65
Dipole, Da:	1.67
IP(EA), eV:	-8.88(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl 2-[3-(1H-isoindol-2-ium-2-yl)propyl]propanedioate

Drug info:

PubChemData

Smile

C1CN=C(SC2=CC=CC=C21)NC3=C(C=CC=C3Cl)Cl

DOS

IR

Vibrations