Geometry & MOs

Info

ID:

185130

PubChem CID:

77260076

Reduced:

NOC5H6 (6)

Stoich.:

ABC5D6 (6)

Weight, g/mol:

576.269633

ΔHf, kcal/mol:

-157.49

Dipole, Da:

5.9

IP(EA), eV:

 -9.42(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl-[1-[7-[5-(5-cyano-6-propan-2-yloxypyridin-3-yl)-1,2,4-oxadiazol-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-3-hydroxy-1-oxobutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1CCN(C2)C(=O)C(C(C)O)N(C(=O)O)C(C)(C)C)C3=NOC(=N3)C4=CC(=C(N=C4)OC(C)C)C#N

DOS

IR

Vibrations