Geometry & MOs

Info

ID:	415275
PubChem CID:	135088267
Reduced:	NO2C8H9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	363.123049
ΔH_f, kcal/mol:	-137.68
Dipole, Da:	2.49
IP(EA), eV:	-9.06(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluoro-3-methoxyphenyl)-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(C[C@@H]([C@@H]1O)C(=O)O)C(=O)CN2C=CC3=CC=CC=C32

DOS

IR

Vibrations