Geometry & MOs

Info

ID:

160806

PubChem CID:

57389841

Reduced:

F3O3N4C26H27 (1)

Stoich.:

A3B3C4D26E27 (1)

Weight, g/mol:

559.138877

ΔHf, kcal/mol:

-227.64

Dipole, Da:

4.7

IP(EA), eV:

 -9.02(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC(C1=CC=C(C=C1)C2=CN=C(C=C2)C(F)(F)F)NC3=NC=C(C=C3)C(=O)NCCC(=O)O

DOS

IR

Vibrations