Geometry & MOs

Info

ID:	65098
PubChem CID:	29204467
Reduced:	SN3O4C17H23 (1)
Stoich.:	AB3C4D17E23 (1)
Weight, g/mol:	484.160283
ΔH_f, kcal/mol:	-154.78
Dipole, Da:	6.59
IP(EA), eV:	-9.34(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3CCCC3=O

DOS

IR

Vibrations