Geometry & MOs

Info

ID:	225982
PubChem CID:	87246532
Reduced:	BrClFN2H11C14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	577.01325
ΔH_f, kcal/mol:	24.87
Dipole, Da:	4.48
IP(EA), eV:	-8.56(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-difluorophenyl)-1-[(3E)-hexa-1,3,5-trien-3-yl]sulfonyl-5-(5-iodo-2-methylpyrazol-3-yl)indole

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)C/C=N/NC2=CC=C(C=C2)Br)F

DOS

IR

Vibrations