Geometry & MOs

Info

ID:	398926
PubChem CID:	135036385
Reduced:	OC3H4 (7)
Stoich.:	AB3C4 (7)
Weight, g/mol:	480.05071
ΔH_f, kcal/mol:	-321.98
Dipole, Da:	3.31
IP(EA), eV:	-9.22(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-benzylidene-5-(4-bromophenyl)-3-methyl-2-(4-methylphenyl)sulfonyl-3H-pyrazole

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)COC(=O)C)OC(=O)C)C2=CC=CC=C2C)COC(=O)C

DOS

IR

Vibrations