Geometry & MOs

Info

ID:	232352
PubChem CID:	87576053
Reduced:	O2N3C25H25 (1)
Stoich.:	A2B3C25D25 (1)
Weight, g/mol:	423.19582
ΔH_f, kcal/mol:	12.08
Dipole, Da:	3.77
IP(EA), eV:	-9.17(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1(C(=O)N/C(=C(/C)\C2=C(C=CC=C2C#N)C=C)/C(=O)N1C)CC3=CC=CC=C3

DOS

IR

Vibrations