Geometry & MOs

Info

ID:	189014
PubChem CID:	77803410
Reduced:	SN2F3O4C18H19 (1)
Stoich.:	AB2C3D4E18F19 (1)
Weight, g/mol:	522.169031
ΔH_f, kcal/mol:	-276.71
Dipole, Da:	7.4
IP(EA), eV:	-9.53(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-2-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl]piperidin-4-yl]-4aH-quinazolin-4-one;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CCCC1(C2C(=CCN2)N(C1=O)S(=O)(=O)C)C(=O)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations