Geometry & MOs

Info

ID:	25702
PubChem CID:	629385
Reduced:	FSO2N5H12C13 (1)
Stoich.:	ABC2D5E12F13 (1)
Weight, g/mol:	321.093583
ΔH_f, kcal/mol:	-23.41
Dipole, Da:	9.47
IP(EA), eV:	-8.96(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-methyl-2-oxoindol-3-ylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=NC2=NC(=NN12)S(=O)(=O)NC3=CC(=CC=C3)F)C

DOS

IR

Vibrations