Geometry & MOs

Info

ID:	36624
PubChem CID:	8010015
Reduced:	ClN2O3H19C22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	398.073488
ΔH_f, kcal/mol:	-66.33
Dipole, Da:	6.13
IP(EA), eV:	-9.48(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(3,5-dichloropyridin-2-yl)acetamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)CC2=CC=C(C=C2)C(=O)OCC3=CC4=CC=CC=C4N=C3Cl

DOS

IR

Vibrations