Geometry & MOs

Info

ID:	11346
PubChem CID:	114270
Reduced:	NSSeO4C13H17 (1)
Stoich.:	ABCD4E13F17 (1)
Weight, g/mol:	363.00435
ΔH_f, kcal/mol:	-85.15
Dipole, Da:	34.28
IP(EA), eV:	-7.99(-3.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-methoxy-2-methyl-1,3-benzoselenazol-3-ium-3-yl)butane-1-sulfonate

Drug info:

PubChemData

Smile

CC1=[N+](C2=C([Se]1)C=CC(=C2)OC)CCCCS(=O)(=O)[O-]

DOS

IR

Vibrations