Geometry & MOs

Info

ID:	396959
PubChem CID:	135029512
Reduced:	O2H6C7 (2)
Stoich.:	A2B6C7 (2)
Weight, g/mol:	424.124549
ΔH_f, kcal/mol:	-105.78
Dipole, Da:	4.72
IP(EA), eV:	-9.48(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)sulfonyl-3-naphthalen-2-yl-5-phenylpyrazole

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C=O)C2=CC=C(C=C2)C(=O)OC

DOS

IR

Vibrations