Geometry & MOs

Info

ID:	390618
PubChem CID:	135000027
Reduced:	NSeBr2I2H9C15 (1)
Stoich.:	ABC2D2E9F15 (1)
Weight, g/mol:	520.95188
ΔH_f, kcal/mol:	179.17
Dipole, Da:	2.73
IP(EA), eV:	-8.9(-3.97)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[(2E)-2-[(E)-3-[3-(carboxymethyl)-1,3-benzoselenazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzoselenazol-3-yl]acetic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=C[Se](C(=N2)C3=CC=C(C=C3)Br)(I)I)Br

DOS

IR

Vibrations