Geometry & MOs

Info

ID:

438652

PubChem CID:

135228400

Reduced:

NO2C14H23 (1)

Stoich.:

AB2C14D23 (1)

Weight, g/mol:

1290.747527

ΔHf, kcal/mol:

-106.6

Dipole, Da:

1.81

IP(EA), eV:

-8.19(0.45)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

5-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenyl-1-prop-2-enoxypropan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)C(O)OCC1=CC=C(C=C1)NC(C)C

DOS

IR

Vibrations