Geometry & MOs

Info

ID:	11347
PubChem CID:	114273
Reduced:	NSSeO3C12H15 (1)
Stoich.:	ABCD3E12F15 (1)
Weight, g/mol:	332.99379
ΔH_f, kcal/mol:	-95.39
Dipole, Da:	4.01
IP(EA), eV:	-8.06(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations