Geometry & MOs

Info

ID:	32504
PubChem CID:	7840035
Reduced:	FNO3C26H26 (1)
Stoich.:	ABC3D26E26 (1)
Weight, g/mol:	418.151513
ΔH_f, kcal/mol:	-124.13
Dipole, Da:	3.87
IP(EA), eV:	-9.18(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-3-(2-propan-2-ylphenyl)quinazolin-4-one

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H]1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations