Geometry & MOs

Info

ID:

16615

PubChem CID:

473857

Reduced:

O6N7C42H61 (1)

Stoich.:

A6B7C42D61 (1)

Weight, g/mol:

759.468333

ΔHf, kcal/mol:

-239.79

Dipole, Da:

5.14

IP(EA), eV:

 -9.54(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4S,5S)-6-cyclohexyl-4-hydroxy-5-[[(2S)-3-(1H-imidazol-5-yl)-2-[(2-phenoxyacetyl)amino]propanoyl]amino]-N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]-2-(2-methylpropyl)hexanamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NCC1=CC=CC=N1)NC(=O)[C@H](C[C@@H]([C@H](CC2CCCCC2)NC(=O)[C@H](CC3=CN=CN3)NC(=O)COC4=CC=CC=C4)O)CC(C)C

DOS

IR

Vibrations