Geometry & MOs

Info

ID:	141287
PubChem CID:	52854507
Reduced:	NO2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	461.201122
ΔH_f, kcal/mol:	-96.7
Dipole, Da:	3.59
IP(EA), eV:	-8.47(0.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)[C@H](CNC(=O)C2=CC(=C(C=C2)OCC=C)OC)N3CCCC3

DOS

IR

Vibrations