Geometry & MOs

Info

ID:	160809
PubChem CID:	57389848
Reduced:	ClFSN3O4H23C26 (1)
Stoich.:	ABCD3E4F23G26 (1)
Weight, g/mol:	543.078633
ΔH_f, kcal/mol:	-79.37
Dipole, Da:	6.35
IP(EA), eV:	-9.05(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C2=C(C(=NO2)C3=C(C=CC=C3Cl)F)COC4CCN(CC4)C5=NC6=C(S5)C=C(C=C6)C(=O)O

DOS

IR

Vibrations