Geometry & MOs

Info

ID:	132810
PubChem CID:	51425391
Reduced:	ClO2F3N4C10H10 (1)
Stoich.:	AB2C3D4E10F10 (1)
Weight, g/mol:	342.145381
ΔH_f, kcal/mol:	-170.56
Dipole, Da:	6.39
IP(EA), eV:	-9.75(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2R)-N-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-(2-oxochromen-7-yl)oxypropanamide

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C(=O)N2[C@@](CC=N2)(C(F)(F)F)O)Cl

DOS

IR

Vibrations