Geometry & MOs

Info

ID:	138442
PubChem CID:	52367806
Reduced:	F2O2N5H13C20 (1)
Stoich.:	A2B2C5D13E20 (1)
Weight, g/mol:	406.200491
ΔH_f, kcal/mol:	-33.08
Dipole, Da:	6.1
IP(EA), eV:	-9.25(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dioxoquinazolin-1-yl)-N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N2C(=O)C=CC(=N2)C(=O)NC3=CC(=C(C=C3)N4C=CN=C4)F)F

DOS

IR

Vibrations