Geometry & MOs

Info

ID:

185903

PubChem CID:

77366939

Reduced:

SO6N9C40H59 (1)

Stoich.:

AB6C9D40E59 (1)

Weight, g/mol:

788.458496

ΔHf, kcal/mol:

-260.51

Dipole, Da:

8.0

IP(EA), eV:

 -9.1(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[1-[[1-[[1-[(1-cyclohexyl-3-hydroxy-5-pyridin-2-yloxypentan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]piperidin-4-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CCN(CC1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC3=CN=CN3)C(=O)NC(CC4CCCCC4)C(CCSC5=NC=CN5)O

DOS

IR

Vibrations