Geometry & MOs

Info

ID:

150852

PubChem CID:

53790549

Reduced:

SO4N6C45H58 (1)

Stoich.:

AB4C6D45E58 (1)

Weight, g/mol:

802.474146

ΔHf, kcal/mol:

-107.96

Dipole, Da:

7.75

IP(EA), eV:

 -8.62(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[1-[[1-[[1-cyclohexyl-3-hydroxy-5-[[3-methyl-1-oxo-1-(pyridin-3-ylmethylamino)pentan-2-yl]amino]-5-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCCCOC(=O)N[C@@H](CC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)NCCCCCCCCCCCN4C(=O)C5=C(N=CN5C)N(C4=O)C

DOS

IR

Vibrations