Geometry & MOs

Info

ID:

440137

PubChem CID:

135230037

Reduced:

SN3O5C32H47 (1)

Stoich.:

AB3C5D32E47 (1)

Weight, g/mol:

576.317492

ΔHf, kcal/mol:

-248.8

Dipole, Da:

3.58

IP(EA), eV:

 -8.4(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-3-[4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)pyridin-3-yl]phenyl]-2-[[1-(2,2,4,4-tetramethylpentyl)cyclopentanecarbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(C(=O)N1C)C)C2=CC=C(C=C2)CC[C@@H](C(=O)O)NC(=O)C3(CCCC3)CC(C)(C)CC(C)(C)SC

DOS

IR

Vibrations