Geometry & MOs

Info

ID:	196211
PubChem CID:	78797928
Reduced:	S2N3O3C14H23 (1)
Stoich.:	A2B3C3D14E23 (1)
Weight, g/mol:	391.169605
ΔH_f, kcal/mol:	-113.24
Dipole, Da:	2.98
IP(EA), eV:	-8.81(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1-(3-hydroxypiperidin-1-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C)S(=O)(=O)N2CCN(CC2)CC(=O)N(C)C

DOS

IR

Vibrations