Geometry & MOs

Info

ID:

15926

PubChem CID:

455295

Reduced:

N5O6C31H49 (1)

Stoich.:

A5B6C31D49 (1)

Weight, g/mol:

587.368284

ΔHf, kcal/mol:

-280.3

Dipole, Da:

7.69

IP(EA), eV:

 -8.99(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-(1H-imidazol-5-yl)-2-[(2-phenoxyacetyl)amino]propanoyl]amino]-7-methyl-N-[(2S)-2-methylbutyl]-2-propan-2-yloctanamide

Drug info:

PubChemData

Smile

CC[C@H](C)CNC(=O)[C@@H]([C@H]([C@@H]([C@H](CC(C)C)NC(=O)[C@H](CC1=CN=CN1)NC(=O)COC2=CC=CC=C2)O)O)C(C)C

DOS

IR

Vibrations