Geometry & MOs

Info

ID:

439452

PubChem CID:

135229226

Reduced:

INO2H11C13 (2)

Stoich.:

ABC2D11E13 (2)

Weight, g/mol:

703.488399

ΔHf, kcal/mol:

-33.96

Dipole, Da:

3.55

IP(EA), eV:

 -8.7(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-[(2R)-1-[[(3R,4S)-6-[(2R)-2-[(1S,2S)-3-[[(2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1CO)COC2=C(C=C3C(=C2)N=C[C@@H]4CC5=CC=CC=C5N4C3=O)OC)I)I

DOS

IR

Vibrations