Geometry & MOs

Info

ID:

233504

PubChem CID:

90944933

Reduced:

O3N5C23H29 (1)

Stoich.:

A3B5C23D29 (1)

Weight, g/mol:

579.201477

ΔHf, kcal/mol:

-86.83

Dipole, Da:

7.37

IP(EA), eV:

 -9.09(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl]-5,5-dimethyl-N-(4,4,4-trifluorobut-2-enyl)-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC=C(C(=N)C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3(CCNCC3)N4CCCC4=O

DOS

IR

Vibrations