Geometry & MOs

Info

ID:

225632

PubChem CID:

87219086

Reduced:

N5O6C36H41 (1)

Stoich.:

A5B6C36D41 (1)

Weight, g/mol:

563.141233

ΔHf, kcal/mol:

-161.98

Dipole, Da:

4.51

IP(EA), eV:

 -9.54(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S)-1-[[5-[2-[(2,3-dichlorophenoxy)methyl]phenyl]-1,3-thiazol-2-yl]amino]-1-oxopentan-2-yl]-2-hydroxy-3,3-dimethylbutanamide

Drug info:

PubChemData

Smile

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)CC(=O)N[C@H](CC4=CC=CC=C4)CC(=O)NO

DOS

IR

Vibrations