Geometry & MOs

Info

ID:	228219
PubChem CID:	87563684
Reduced:	BrNOH10C11 (1)
Stoich.:	ABCD10E11 (1)
Weight, g/mol:	561.063998
ΔH_f, kcal/mol:	19.38
Dipole, Da:	3.2
IP(EA), eV:	-9.79(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)dibenzothiophen-2-yl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

C1CC1C(C2=CC=C(C=C2)Br)N=C=O

DOS

IR

Vibrations