Geometry & MOs

Info

ID:

319822

PubChem CID:

126657356

Reduced:

ON2C9H10 (1)

Stoich.:

AB2C9D10 (1)

Weight, g/mol:

816.256446

ΔHf, kcal/mol:

11.33

Dipole, Da:

3.5

IP(EA), eV:

 -9.86(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[6-[4-[[(2R)-2-(4-fluorophenyl)-1-hydroxypropyl]amino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-[4-methylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]oxymethyl (2S)-2-amino-3,3-dimethylbutanoate

Drug info:

PubChemData

Smile

C/C=C/C(=O)C1=NC=C(N=C1)C

DOS

IR

Vibrations