Geometry & MOs

Info

ID:	307579
PubChem CID:	125307563
Reduced:	SO2N6H18C20 (1)
Stoich.:	AB2C6D18E20 (1)
Weight, g/mol:	495.134282
ΔH_f, kcal/mol:	105.75
Dipole, Da:	6.24
IP(EA), eV:	-8.69(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[(Z)-(8-fluoro-4-oxo-2H-pyrimido[5,4-b]indol-3-yl)iminomethyl]-2-methoxyphenyl]methyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NN=C(C2)C3=NN=C(N3N)SCC(=O)C4=CC=CC=C4

DOS

IR

Vibrations