Geometry & MOs

Info

ID:

84404

PubChem CID:

49866264

Reduced:

N3O6C24H29 (1)

Stoich.:

A3B6C24D29 (1)

Weight, g/mol:

798.507755

ΔHf, kcal/mol:

-163.44

Dipole, Da:

7.62

IP(EA), eV:

 -8.26(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3S)-2-(dimethylamino)-N-[(2S)-1-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1S,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylpentanamide

Drug info:

PubChemData

Smile

CC(=O)OCC(=O)N1C(CC(=N1)C2=CC=C(C=C2)N(C)C)C3=CC(=C(C(=C3)OC)OC)OC

DOS

IR

Vibrations