Geometry & MOs

Info

ID:	61342
PubChem CID:	26708316
Reduced:	FSO3N6C19H19 (1)
Stoich.:	ABC3D6E19F19 (1)
Weight, g/mol:	451.210721
ΔH_f, kcal/mol:	-38.56
Dipole, Da:	7.27
IP(EA), eV:	-9.63(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-1H-quinazolin-2-yl)methyl]propanamide

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC(=CC=C3)N4C=NN=N4

DOS

IR

Vibrations