Geometry & MOs

Info

ID:	227954
PubChem CID:	87563122
Reduced:	NS2F3O6C9H10 (1)
Stoich.:	AB2C3D6E9F10 (1)
Weight, g/mol:	410.13789
ΔH_f, kcal/mol:	-385.76
Dipole, Da:	7.37
IP(EA), eV:	-9.56(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-[[(3E)-3-[(2E)-2-(1-hydroxypyridin-2-ylidene)ethylidene]indazol-6-yl]methylidene]-5-methoxy-1H-indol-2-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1N)C(F)(F)F)S(=O)(=O)CCOS(=O)(=O)O

DOS

IR

Vibrations