Geometry & MOs

Info

ID:	67773
PubChem CID:	46507140
Reduced:	FSO2N5C20H24 (1)
Stoich.:	ABC2D5E20F24 (1)
Weight, g/mol:	307.11209
ΔH_f, kcal/mol:	-74.21
Dipole, Da:	4.69
IP(EA), eV:	-8.62(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-fluoro-3-(1-phenylethyl)-5H-pyrimido[5,4-b]indol-4-one

Drug info:

PubChemData

Smile

CCCNC(=O)CSC1=NC2=C(C(=O)N1CC3=CC=C(C=C3)F)N(N=C2C)CC

DOS

IR

Vibrations