Geometry & MOs

Info

ID:

230506

PubChem CID:

87571149

Reduced:

F2S2N4O7C27H28 (1)

Stoich.:

A2B2C4D7E27F28 (1)

Weight, g/mol:

585.060662

ΔHf, kcal/mol:

-293.84

Dipole, Da:

9.21

IP(EA), eV:

 -8.35(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-chloro-2-[[2-(2,4-difluorophenoxy)-2-(4-piperidin-4-ylsulfonylphenyl)acetyl]amino]-1,3-thiazol-4-yl]acetic acid

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)O)C2=CN=C(S2)NC(=O)C(C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)OC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations