Geometry & MOs

Info

ID:	170242
PubChem CID:	75212044
Reduced:	SN3O6C32H41 (1)
Stoich.:	AB3C6D32E41 (1)
Weight, g/mol:	382.148141
ΔH_f, kcal/mol:	-205.78
Dipole, Da:	4.97
IP(EA), eV:	-8.85(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1C(=C(N(C(=C1C(=O)OCC2=CC=CC=C2)C)S(=O)(=O)C)C)C(=O)NC(CC3=CC=CC=C3)C(CNC4CC4)O

DOS

IR

Vibrations