Geometry & MOs

Info

ID:

427314

PubChem CID:

135156936

Reduced:

ClOSN4C18H19 (1)

Stoich.:

ABCD4E18F19 (1)

Weight, g/mol:

718.351255

ΔHf, kcal/mol:

29.3

Dipole, Da:

3.66

IP(EA), eV:

 -8.46(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-1-[3,3-dimethyl-2-[[2-[3-(4-piperazin-1-ylphenoxy)cyclobutyl]oxyacetyl]amino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC2=NC3=C(S2)C=C(C=C3)OCC4=CN=CC(=N4)Cl

DOS

IR

Vibrations