Geometry & MOs

Info

ID:	122671
PubChem CID:	50816669
Reduced:	ClS2O3N4H19C20 (1)
Stoich.:	AB2C3D4E19F20 (1)
Weight, g/mol:	437.187005
ΔH_f, kcal/mol:	-28.52
Dipole, Da:	2.98
IP(EA), eV:	-9.37(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(4-ethylphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C3=NN=C(S3)C(=O)NC4=CC(=CC=C4)Cl

DOS

IR

Vibrations