Geometry & MOs

Info

ID:	398867
PubChem CID:	135035910
Reduced:	OSiC9H17 (2)
Stoich.:	ABC9D17 (2)
Weight, g/mol:	418.135114
ΔH_f, kcal/mol:	-142.01
Dipole, Da:	2.41
IP(EA), eV:	-8.69(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)C1=C2COCC2=C(O1)[Si](CC)(CC)CC

DOS

IR

Vibrations