Geometry & MOs

Info

ID:	56885
PubChem CID:	22394702
Reduced:	ClSO3N5H24C26 (1)
Stoich.:	ABC3D5E24F26 (1)
Weight, g/mol:	311.085224
ΔH_f, kcal/mol:	21.72
Dipole, Da:	5.89
IP(EA), eV:	-8.46(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(Z)-1-(6-fluoro-1-methylsulfonylindol-3-yl)ethylideneamino]guanidine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C(=C2C4=CC=C(C=C4)Cl)/C(=N/N=C(N)N)/C5CC5

DOS

IR

Vibrations