Geometry & MOs

Info

ID:	298647
PubChem CID:	117653466
Reduced:	FN2S2O3C13H15 (1)
Stoich.:	AB2C2D3E13F15 (1)
Weight, g/mol:	479.99194
ΔH_f, kcal/mol:	-111.22
Dipole, Da:	5.09
IP(EA), eV:	-9.12(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-bromo-4-fluorophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine;dihydrochloride

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=CC(=C1F)O)S(=O)(=O)NC2=NC=CS2

DOS

IR

Vibrations