Geometry & MOs

Info

ID:	419399
PubChem CID:	135108118
Reduced:	ClFSN2O4C14H18 (1)
Stoich.:	ABCD2E4F14G18 (1)
Weight, g/mol:	336.11215
ΔH_f, kcal/mol:	-198.77
Dipole, Da:	2.83
IP(EA), eV:	-9.77(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluoro-3-methoxyphenyl)-3-[[(2S)-oxolan-2-yl]methylamino]-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C2=C(C=CC(=C2)F)Cl

DOS

IR

Vibrations