Geometry & MOs

Info

ID:

432669

PubChem CID:

135172805

Reduced:

SO3N6C28H34 (1)

Stoich.:

AB3C6D28E34 (1)

Weight, g/mol:

775.489542

ΔHf, kcal/mol:

-44.31

Dipole, Da:

8.17

IP(EA), eV:

 -8.13(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-3-(3-fluorophenyl)-2-[[(2R,3R)-3-methoxy-3-[(1R,3S,5S)-2-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]heptanoyl]-1-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-2-methylpropanoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)CN2CCN(CC2)C(=O)C=C)NC3=NC4=C(C(=N3)N5[C@H](COC5=O)C(C)C)SC=C4

DOS

IR

Vibrations