Geometry & MOs

Info

ID:	227763
PubChem CID:	87562414
Reduced:	F3N3S3O4H24C29 (1)
Stoich.:	A3B3C3D4E24F29 (1)
Weight, g/mol:	299.105862
ΔH_f, kcal/mol:	-188.36
Dipole, Da:	3.37
IP(EA), eV:	-9.12(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[(2Z)-2-indol-3-ylideneethylidene]-2-phenyl-1H-imidazol-4-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CSN=C2)C(=O)N(C)C3=C(C=CC(=C3)C4=CC=CS4)C.C1=CN=C(C=C1S(=O)(=O)O)C(F)(F)F

DOS

IR

Vibrations