Geometry & MOs

Info

ID:	245505
PubChem CID:	99445497
Reduced:	SO2N3C20H33 (1)
Stoich.:	AB2C3D20E33 (1)
Weight, g/mol:	484.143282
ΔH_f, kcal/mol:	-95.38
Dipole, Da:	4.1
IP(EA), eV:	-8.53(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(3,4-dichlorobenzoyl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SCCNC(=O)NC[C@@H](CC(C)C)N2CCOCC2

DOS

IR

Vibrations