Geometry & MOs

Info

ID:

432630

PubChem CID:

135172766

Reduced:

O4C19H26 (1)

Stoich.:

A4B19C26 (1)

Weight, g/mol:

805.536492

ΔHf, kcal/mol:

-184.8

Dipole, Da:

8.72

IP(EA), eV:

 -9.37(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (2S)-3-(2-fluorophenyl)-2-[[(2R,3R)-3-methoxy-3-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-2-methylpropanoyl]amino]propanoate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1CCC2CC3CCCC(C3)C2)C(=O)O)O

DOS

IR

Vibrations