Geometry & MOs

Info

ID:

16617

PubChem CID:

473901

Reduced:

N7O7C43H59 (1)

Stoich.:

A7B7C43D59 (1)

Weight, g/mol:

785.447597

ΔHf, kcal/mol:

-277.83

Dipole, Da:

2.32

IP(EA), eV:

 -8.66(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3S,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-(1H-imidazol-5-yl)-2-[(2-naphthalen-1-yloxyacetyl)amino]propanoyl]amino]-7-methyl-N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]-2-(2-methylpropyl)octanamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NCC1=CC=CC=N1)NC(=O)[C@@H](CC(C)C)[C@@H]([C@@H]([C@H](CC(C)C)NC(=O)[C@H](CC2=CN=CN2)NC(=O)COC3=CC=CC4=CC=CC=C43)O)O

DOS

IR

Vibrations