Geometry & MOs

Info

ID:	446665
PubChem CID:	135276782
Reduced:	ClSO4H11C15 (1)
Stoich.:	ABC4D11E15 (1)
Weight, g/mol:	495.206602
ΔH_f, kcal/mol:	-112.84
Dipole, Da:	4.94
IP(EA), eV:	-9.41(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[[2-[4-[(5,6-diphenylpyrazin-2-yl)-propan-2-ylamino]butoxy]acetyl]amino]methanesulfinate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(C(O2)O)S(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations