Geometry & MOs

Info

ID:	175025
PubChem CID:	75846816
Reduced:	ClFN2O3C19H20 (1)
Stoich.:	ABC2D3E19F20 (1)
Weight, g/mol:	453.174908
ΔH_f, kcal/mol:	-129.65
Dipole, Da:	5.36
IP(EA), eV:	-8.5(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-[[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-3-phenyl-2H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-one

Drug info:

PubChemData

Smile

COC(C1=CC=C(C=C1)F)C(=O)NC2=CC(=C(C=C2)N3CCOCC3)Cl

DOS

IR

Vibrations