Geometry & MOs

Info

ID:	232777
PubChem CID:	87576963
Reduced:	SN2F3O3C6H9 (1)
Stoich.:	AB2C3D3E6F9 (1)
Weight, g/mol:	1070.282643
ΔH_f, kcal/mol:	-217.35
Dipole, Da:	4.39
IP(EA), eV:	-9.4(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(Z)-[5-[(3-methoxyphenyl)sulfonylamino]-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoic acid

Drug info:

PubChemData

Smile

C[N+]1(C=CN=C1)C.C(F)(F)(F)S(=O)(=O)[O-]

DOS

IR

Vibrations