Geometry & MOs

Info

ID:

160552

PubChem CID:

57389022

Reduced:

S2F3N4O7C29H29 (1)

Stoich.:

A2B3C4D7E29F29 (1)

Weight, g/mol:

495.219178

ΔHf, kcal/mol:

-313.47

Dipole, Da:

7.15

IP(EA), eV:

 -9.05(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C2=C(C(=NO2)C3=CC=CC=C3OC(F)(F)F)COC4CCN(CC4)C5=NC6=C(S5)C=C(C=C6)C(=O)NCCS(=O)(=O)O

DOS

IR

Vibrations