Geometry & MOs

Info

ID:	415173
PubChem CID:	135088164
Reduced:	SN6O6C36H48 (1)
Stoich.:	AB6C6D36E48 (1)
Weight, g/mol:	302.126657
ΔH_f, kcal/mol:	-233.34
Dipole, Da:	4.74
IP(EA), eV:	-8.9(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-hydroxy-3-methylpiperidin-1-yl)-5-phenyl-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)C(=O)CCC3=NC4=CC=CC=C4S3)C(C)C

DOS

IR

Vibrations