Geometry & MOs

Info

ID:	172777
PubChem CID:	75551078
Reduced:	ClS2F3N3O4H17C19 (1)
Stoich.:	AB2C3D3E4F17G19 (1)
Weight, g/mol:	471.12699
ΔH_f, kcal/mol:	-281.46
Dipole, Da:	8.27
IP(EA), eV:	-9.48(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromophenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1C(C(=O)NC(N1)SCC(=O)NC2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations