Geometry & MOs

Info

ID:	415189
PubChem CID:	135088180
Reduced:	N6O8C35H46 (1)
Stoich.:	A6B8C35D46 (1)
Weight, g/mol:	336.11215
ΔH_f, kcal/mol:	-299.95
Dipole, Da:	0.73
IP(EA), eV:	-9.13(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluoro-3-methoxyphenyl)-3-(4-hydroxypiperidin-1-yl)-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N1)C(C)C)NC(=O)C2=CC3=C(C=C2C)OCCO3)C)CC4=CC=CC=C4

DOS

IR

Vibrations