Geometry & MOs

Info

ID:	227011
PubChem CID:	87559606
Reduced:	SN2O6C20H22 (1)
Stoich.:	AB2C6D20E22 (1)
Weight, g/mol:	277.04259
ΔH_f, kcal/mol:	-168.21
Dipole, Da:	8.38
IP(EA), eV:	-7.66(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(1H-imidazol-3-ium-3-yl)-N-(1-methoxyethyl)propanamide;bromide

Drug info:

PubChemData

Smile

CS(=O)(=O)OC1C2CC3CC(CC1N3CC2=O)OC(=O)C4=CNC5=CC=CC=C54

DOS

IR

Vibrations