Geometry & MOs

Info

ID:	66432
PubChem CID:	46504561
Reduced:	F2S2O3N4H12C15 (1)
Stoich.:	A2B2C3D4E12F15 (1)
Weight, g/mol:	574.17908
ΔH_f, kcal/mol:	-103.35
Dipole, Da:	7.34
IP(EA), eV:	-9.33(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-3-(2,4-dimethoxyphenyl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC2=NSN=C2C(=C1)S(=O)(=O)NCCC(=O)NC3=CC(=C(C=C3)F)F

DOS

IR

Vibrations