Geometry & MOs

Info

ID:

322589

PubChem CID:

126670573

Reduced:

O4N7C45H49 (1)

Stoich.:

A4B7C45D49 (1)

Weight, g/mol:

715.488399

ΔHf, kcal/mol:

-20.81

Dipole, Da:

7.8

IP(EA), eV:

 -8.44(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S)-1-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide

Drug info:

PubChemData

Smile

C/C=C(\C1=CC=CC=C1)/C(=O)N2CCC[C@H]2C3=NC=C(N3)C4=CC(=C(C=C4)C#C/C=C/N=C(C5CCCN5C(=O)C(C(C)C)NC(=O)OC)N)C6=CC=CC=C6

DOS

IR

Vibrations