Geometry & MOs

Info

ID:

319763

PubChem CID:

126657232

Reduced:

ClNO5C26H34 (1)

Stoich.:

ABC5D26E34 (1)

Weight, g/mol:

685.164298

ΔHf, kcal/mol:

-239.55

Dipole, Da:

4.72

IP(EA), eV:

 -9.23(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-(2-methoxy-4-methylsulfonylphenyl)carbamoyl]oxy-methylsulfanylmethyl] (2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@](CCC1=CC=C(C=C1)C2=CC(=CC=C2)Cl)(CCNC(=O)OC(C)(C)C)CO

DOS

IR

Vibrations