Geometry & MOs

Info

ID:	84293
PubChem CID:	49865311
Reduced:	ClSF6N7H18C26 (1)
Stoich.:	ABC6D7E18F26 (1)
Weight, g/mol:	411.00098
ΔH_f, kcal/mol:	-124.32
Dipole, Da:	5.15
IP(EA), eV:	-9.85(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(Z)-[6-(4-hydroxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]selenophene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(C1)(C2=NN=C(S2)C3=NN(C(=C3CN4C=NC=N4)C5=CC=C(C=C5)Cl)C6=CC=CC=C6C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations