Geometry & MOs

Info

ID:	232367
PubChem CID:	87576080
Reduced:	FN2O4H21C26 (1)
Stoich.:	AB2C4D21E26 (1)
Weight, g/mol:	396.148535
ΔH_f, kcal/mol:	-142.8
Dipole, Da:	10.38
IP(EA), eV:	-8.9(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[2-[(E)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate

Drug info:

PubChemData

Smile

C1CC2=C(C(=O)C1)C(=C(N2)/C=C/3\C4=C(C=C(C=C4)C5=CC=C(C=C5)F)NC3=O)CCC(=O)O

DOS

IR

Vibrations