Geometry & MOs

Info

ID:	181856
PubChem CID:	76805189
Reduced:	FSN4O5C22H27 (1)
Stoich.:	ABC4D5E22F27 (1)
Weight, g/mol:	479.058566
ΔH_f, kcal/mol:	-151.2
Dipole, Da:	4.85
IP(EA), eV:	-8.22(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-N-[1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1OC2=CC=C(C=C2)F)C(C)NS(=O)(=O)CCCOC3=CC=C(C=C3)OC

DOS

IR

Vibrations