Geometry & MOs

Info

ID:

432833

PubChem CID:

135172970

Reduced:

N5O8C44H73 (1)

Stoich.:

A5B8C44D73 (1)

Weight, g/mol:

747.514614

ΔHf, kcal/mol:

-407.31

Dipole, Da:

8.57

IP(EA), eV:

 -8.79(-0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S)-1-[[(3R,4S,5S)-1-[(2S,5S)-2-[(1R,2R)-3-[[(2S)-1,1-dihydroxy-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]-5-methylpyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CC(=C)C[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC(C)(C)C)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC

DOS

IR

Vibrations