Geometry & MOs

Info

ID:

320260

PubChem CID:

126659072

Reduced:

N2H42C65 (1)

Stoich.:

A2B42C65 (1)

Weight, g/mol:

451.109885

ΔHf, kcal/mol:

283.41

Dipole, Da:

1.59

IP(EA), eV:

 -8.2(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[(5S)-2-oxo-5-[(4R)-7,8,8-trifluoro-4-hydroxyoct-7-enyl]cyclopentyl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2NC3=CC=CC=C3N2C4=CC=C(C=C4)C5=C6C=CC=C7C6=C(C=C5)C8=CC9=C(C=C1C2=C(C=C(C=C2)C2=CC=CC=C2)C(=CC1=C9C=C78)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations