Geometry & MOs

Info

ID:	414232
PubChem CID:	135087188
Reduced:	SO2N4H16C17 (1)
Stoich.:	AB2C4D16E17 (1)
Weight, g/mol:	396.089718
ΔH_f, kcal/mol:	33.75
Dipole, Da:	3.21
IP(EA), eV:	-8.56(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1H-indol-3-yl)butan-2-ylideneamino] 2,3,4,5,6-pentafluorobenzoate

Drug info:

PubChemData

Smile

CCN\1C2=CC=CC=C2C(=[N+]=[N-])/C1=N/S(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations