Geometry & MOs

Info

ID:

185129

PubChem CID:

77260075

Reduced:

ClSN2O10C27H27 (1)

Stoich.:

ABC2D10E27F27 (1)

Weight, g/mol:

576.269633

ΔHf, kcal/mol:

-353.41

Dipole, Da:

7.89

IP(EA), eV:

 -9.14(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl-[1-[6-[5-(5-cyano-6-propan-2-yloxypyridin-3-yl)-1,2,4-oxadiazol-3-yl]-5-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-hydroxy-1-oxobutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)C2=CC(=C(C=C2)Cl)CC3=NN=C(S3)C4=CC=CO4)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations