Geometry & MOs

Info

ID:	125463
PubChem CID:	50925314
Reduced:	ClN2O5H27C29 (1)
Stoich.:	AB2C5D27E29 (1)
Weight, g/mol:	516.23727
ΔH_f, kcal/mol:	-118.61
Dipole, Da:	9.28
IP(EA), eV:	-9.29(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S)-1-[2-hydroxy-2-[4-[5-(5-phenyl-4-propyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]piperidin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C2=CC=C(C=C2)C3=CC=C(C=C3)CCCC(=O)O)NC(=O)OC(C)C4=CC=CC=C4Cl

DOS

IR

Vibrations