Geometry & MOs

Info

ID:	176183
PubChem CID:	76006484
Reduced:	N2O3C11H16 (1)
Stoich.:	A2B3C11D16 (1)
Weight, g/mol:	476.149598
ΔH_f, kcal/mol:	-107.86
Dipole, Da:	3.68
IP(EA), eV:	-9.69(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-[5-(2-fluorophenoxy)-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenyl]propanoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCC(=C1C(=O)C=C(OC1=O)C)NNC

DOS

IR

Vibrations