Geometry & MOs

Info

ID:	155634
PubChem CID:	56366493
Reduced:	SN4O4C21H24 (1)
Stoich.:	AB4C4D21E24 (1)
Weight, g/mol:	487.168954
ΔH_f, kcal/mol:	-63.46
Dipole, Da:	7.03
IP(EA), eV:	-9.29(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-5-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]-3,4-dihydropyrazole-3,5-dicarboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)CNC(=O)C3=CC=C(O3)CN4C=CC=N4

DOS

IR

Vibrations