Geometry & MOs

Info

ID:	390813
PubChem CID:	135001101
Reduced:	NO3C22H27 (1)
Stoich.:	AB3C22D27 (1)
Weight, g/mol:	645.94273
ΔH_f, kcal/mol:	-77.2
Dipole, Da:	9.67
IP(EA), eV:	-8.16(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2E)-2-[(E)-3-[3-(2-carboxyethyl)-1,3-benzoselenazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzoselenazol-3-yl]propanoic acid;hydrogen sulfate

Drug info:

PubChemData

Smile

CC(C)(C)C1=C/C(=C\2/NC3=C(O2)C=C(C=C3)OC)/C(=CC1=O)C(C)(C)C

DOS

IR

Vibrations