Geometry & MOs

Info

ID:	160858
PubChem CID:	57390008
Reduced:	SF3N3O5H26C28 (1)
Stoich.:	AB3C3D5E26F28 (1)
Weight, g/mol:	545.094283
ΔH_f, kcal/mol:	-228.24
Dipole, Da:	5.79
IP(EA), eV:	-8.84(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1,3-benzothiazole-6-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(CCN(C1)C2=NC3=C(S2)C=C(C=C3)C(=O)O)OCC4=C(ON=C4C5=CC=CC=C5OC(F)(F)F)C6CC6

DOS

IR

Vibrations