Geometry & MOs

Info

ID:	61382
PubChem CID:	26708755
Reduced:	ClO2N4H21C22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	476.108518
ΔH_f, kcal/mol:	-9.94
Dipole, Da:	5.93
IP(EA), eV:	-8.76(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=C(C=C2)CC(=O)NC3=CC=NN3CC4=CC=CC=C4Cl

DOS

IR

Vibrations