Geometry & MOs

Info

ID:	417071
PubChem CID:	135091249
Reduced:	SN2O4C19H22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	393.169999
ΔH_f, kcal/mol:	-117.53
Dipole, Da:	6.39
IP(EA), eV:	-10.03(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluoro-3-methoxyphenyl)-3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethylamino]-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CO1)NC(=O)CCS(=O)(=O)C2=CC=CC=C2)CC3=CC=NC=C3

DOS

IR

Vibrations