Geometry & MOs

Info

ID:	65095
PubChem CID:	29204461
Reduced:	SN3O6C20H27 (1)
Stoich.:	AB3C6D20E27 (1)
Weight, g/mol:	466.203862
ΔH_f, kcal/mol:	-176.66
Dipole, Da:	6.42
IP(EA), eV:	-9.47(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CC(=O)[C@@H]([C@@H]1C[N+](=O)[O-])CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

DOS

IR

Vibrations