Geometry & MOs

Info

ID:	138438
PubChem CID:	52366989
Reduced:	SN2O4H14C19 (1)
Stoich.:	AB2C4D14E19 (1)
Weight, g/mol:	366.229386
ΔH_f, kcal/mol:	24.11
Dipole, Da:	14.49
IP(EA), eV:	-9.44(-3.84)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[6-[(2R)-2-methylmorpholin-4-yl]pyridin-1-ium-3-yl]methanamine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)[O-])N=C2N=C(/C(=C/C3=CC=C(C=C3)OC)/S2)[O-]

DOS

IR

Vibrations