Geometry & MOs

Info

ID:

438609

PubChem CID:

135228353

Reduced:

O3N5C22H33 (1)

Stoich.:

A3B5C22D33 (1)

Weight, g/mol:

717.50405

ΔHf, kcal/mol:

-120.08

Dipole, Da:

6.13

IP(EA), eV:

-8.51(-0.05)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2R)-N-[(2R)-1-[[(3S,5R)-1-[(2R)-2-[(1S,2S)-3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-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

CCN[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCCNC(=O)N)C(=O)C(C)C

DOS

IR

Vibrations