Geometry & MOs

Info

ID:	227607
PubChem CID:	87562078
Reduced:	O3N4F8H22C30 (1)
Stoich.:	A3B4C8D22E30 (1)
Weight, g/mol:	343.077933
ΔH_f, kcal/mol:	-426.12
Dipole, Da:	4.49
IP(EA), eV:	-9.77(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-[(3-thiophen-2-yl-1H-indazol-6-yl)methylidene]-1H-indol-2-one

Drug info:

PubChemData

Smile

CCC1=C(C(=CC(=C1)C(C(C(F)(F)F)(F)F)(C(F)(F)F)O)C)NC(=O)C2=CC(=C(C=C2)C#N)NC(=O)C3=C(C=C(C=C3)C#N)C

DOS

IR

Vibrations