Geometry & MOs

Info

ID:

47232

PubChem CID:

10530780

Reduced:

O9C30H50 (1)

Stoich.:

A9B30C50 (1)

Weight, g/mol:

554.325691

ΔHf, kcal/mol:

-453.49

Dipole, Da:

2.2

IP(EA), eV:

 -9.61(0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-5-amino-N,5-dimethyl-N-[(2R)-1-[methyl-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]hex-2-enamide

Drug info:

PubChemData

Smile

C[C@H]1[C@H](CC[C@@H](O1)OC2(CCC3(CC2)OCC(CO3)(C)C)C)O[C@H]4CC[C@@H]([C@@H](O4)C)O[C@H]5C=CC([C@@H](O5)C)O

DOS

IR

Vibrations