Geometry & MOs

Info

ID:

432721

PubChem CID:

135172858

Reduced:

N3O4C23H29 (1)

Stoich.:

A3B4C23D29 (1)

Weight, g/mol:

831.552143

ΔHf, kcal/mol:

-118.79

Dipole, Da:

5.88

IP(EA), eV:

 -8.88(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (2S)-3-(2-fluorophenyl)-2-[[(2R,3R)-3-methoxy-3-[(6S)-5-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]heptanoyl]-5-azaspiro[2.4]heptan-6-yl]-2-methylpropanoyl]amino]propanoate

Drug info:

PubChemData

Smile

C1CN(CCC1C(CC2C3=CC=CC=C3C4=CN=CN24)O)C(=O)COC5CCOC5

DOS

IR

Vibrations