Geometry & MOs

Info

ID:	302210
PubChem CID:	124360347
Reduced:	Cl2O2N3H13C17 (1)
Stoich.:	A2B2C3D13E17 (1)
Weight, g/mol:	339.138305
ΔH_f, kcal/mol:	-41.09
Dipole, Da:	3.86
IP(EA), eV:	-9.54(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(3-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC(=CC(=C1)Cl)Cl)N2C=NC3=CC=CC=C3C2=O

DOS

IR

Vibrations