Geometry & MOs

Info

ID:	225668
PubChem CID:	87225341
Reduced:	SN6O6H18C21 (1)
Stoich.:	AB6C6D18E21 (1)
Weight, g/mol:	253.098394
ΔH_f, kcal/mol:	-103.71
Dipole, Da:	7.82
IP(EA), eV:	-8.96(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-sulfo-2-(trimethylazaniumyl)pentanoate

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C(=N)N)N/C(=C/3\C=C(C=C(C3=O)C4=C(C=CC(=C4)S(=O)(=O)N)O)C(=O)NO)/N2

DOS

IR

Vibrations