Geometry & MOs

Info

ID:	80470
PubChem CID:	49834608
Reduced:	S2N5O8C35H47 (1)
Stoich.:	A2B5C8D35E47 (1)
Weight, g/mol:	412.88853
ΔH_f, kcal/mol:	-349.08
Dipole, Da:	9.42
IP(EA), eV:	-8.69(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-fluoro-1H-indol-2-one

Drug info:

PubChemData

Smile

CC(C)OC(=O)C1C(SSC(C(C(=O)NCC(=O)NC(C(=O)N1)CC2=CC=CC=C2)NC(=O)C(CC3=CC=C(C=C3)OC(=O)C)N)(C)C)(C)C

DOS

IR

Vibrations