Geometry & MOs

Info

ID:	414744
PubChem CID:	135087705
Reduced:	ClN2O5H11C13 (1)
Stoich.:	AB2C5D11E13 (1)
Weight, g/mol:	377.138699
ΔH_f, kcal/mol:	-152.55
Dipole, Da:	8.09
IP(EA), eV:	-10.16(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@]2([C@@]1(CN(C2)C(=O)C3=NC=C(C=C3)Cl)C(=O)O)C(=O)O

DOS

IR

Vibrations