Geometry & MOs

Info

ID:

160859

PubChem CID:

57390010

Reduced:

SCl2N3O4H25C26 (1)

Stoich.:

AB2C3D4E25F26 (1)

Weight, g/mol:

549.190912

ΔHf, kcal/mol:

-75.82

Dipole, Da:

6.8

IP(EA), eV:

 -9.01(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)COC3CCN(CC3)C4=NC5=C(S4)C=C(C=C5)C(=O)O

DOS

IR

Vibrations