Geometry & MOs

Info

ID:	419166
PubChem CID:	135107667
Reduced:	SN4O4C16H28 (1)
Stoich.:	AB4C4D16E28 (1)
Weight, g/mol:	391.154349
ΔH_f, kcal/mol:	-157.46
Dipole, Da:	3.64
IP(EA), eV:	-9.07(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(N(N=C1C)CC(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)C

DOS

IR

Vibrations