Geometry & MOs

Info

ID:

232436

PubChem CID:

87576181

Reduced:

SN3O7C16H27 (1)

Stoich.:

AB3C7D16E27 (1)

Weight, g/mol:

533.069827

ΔHf, kcal/mol:

-330.55

Dipole, Da:

7.23

IP(EA), eV:

 -9.54(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2R,4R)-4-[2-chloro-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]sulfonyl-2-(3,3-difluoropyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O

DOS

IR

Vibrations