Geometry & MOs

Info

ID:

431783

PubChem CID:

135171889

Reduced:

O5H20C22 (1)

Stoich.:

A5B20C22 (1)

Weight, g/mol:

567.249096

ΔHf, kcal/mol:

-161.48

Dipole, Da:

2.4

IP(EA), eV:

 -8.86(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (3R)-3-[4-[[1-(cyclopropanecarbonyl)piperidin-4-yl]-(2-methylpropyl)amino]-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]phenyl]butanoate

Drug info:

PubChemData

Smile

C1CC(=O)C(C1=O)CCOC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

DOS

IR

Vibrations