Geometry & MOs

Info

ID:

433324

PubChem CID:

135173461

Reduced:

NO2C9H17 (1)

Stoich.:

AB2C9D17 (1)

Weight, g/mol:

1060.52208

ΔHf, kcal/mol:

-93.66

Dipole, Da:

1.15

IP(EA), eV:

-8.81(0.48)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2S)-2-(methylamino)-N-[3-[6-[3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxo-4-[2-[[2-phenylethyl-(2,2,2-trifluoroacetyl)amino]methyl]pyrrolidin-1-yl]butan-2-yl]oxyhexa-2,4-diynoxy]-1-oxo-1-[(2S)-2-[[3-phenylpropyl-(2,2,2-trifluoroacetyl)amino]methyl]pyrrolidin-1-yl]butan-2-yl]propanamide

Drug info:

PubChemData

Smile

CCO[C@H]1CCN(C1C(=O)C)C

DOS

IR

Vibrations