Geometry & MOs

Info

ID:	134332
PubChem CID:	51682097
Reduced:	SN4H11C14 (1)
Stoich.:	AB4C11D14 (1)
Weight, g/mol:	307.09955
ΔH_f, kcal/mol:	93.97
Dipole, Da:	9.82
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.091516
Charge, e:	1

Chem-info

IUPAC name:

(4-chloro-3-methyl-1H-imidazol-3-ium-5-yl)sulfonyl-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]azanide

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)[N+]3=C(SC(=C3N)C#N)N

DOS

IR

Vibrations