Geometry & MOs

Info

ID:	122935
PubChem CID:	50827295
Reduced:	N3O3C21H31 (1)
Stoich.:	A3B3C21D31 (1)
Weight, g/mol:	406.144119
ΔH_f, kcal/mol:	-154.76
Dipole, Da:	2.13
IP(EA), eV:	-8.95(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-fluorophenyl)-7-oxo-[1,2]oxazolo[4,5-d]pyrimidin-6-yl]-N-(1-phenylethyl)propanamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)NC(=O)C(C)(C)C

DOS

IR

Vibrations