Geometry & MOs

Info

ID:	156186
PubChem CID:	56369437
Reduced:	ClN2S2O4C21H25 (1)
Stoich.:	AB2C2D4E21F25 (1)
Weight, g/mol:	486.14924
ΔH_f, kcal/mol:	-132.4
Dipole, Da:	6.8
IP(EA), eV:	-9.47(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-3-yl]methyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCC2CCCN(C2)C(=O)CCC(=O)C3=CC=C(S3)Cl

DOS

IR

Vibrations