Geometry & MOs

Info

ID:	65089
PubChem CID:	29204452
Reduced:	SN3O5C24H31 (1)
Stoich.:	AB3C5D24E31 (1)
Weight, g/mol:	486.14924
ΔH_f, kcal/mol:	-175.56
Dipole, Da:	6.32
IP(EA), eV:	-9.22(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-(3-piperidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2)NC(=O)COC3=CC=CC=C3

DOS

IR

Vibrations