Geometry & MOs

Info

ID:

159509

PubChem CID:

57288281

Reduced:

ClO2N3C20H20 (1)

Stoich.:

AB2C3D20E20 (1)

Weight, g/mol:

614.404335

ΔHf, kcal/mol:

-43.71

Dipole, Da:

3.54

IP(EA), eV:

 -9.41(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R)-1-[[1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxopent-4-yn-2-yl]amino]-1-oxo-3-phenylpropan-2-yl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate

Drug info:

PubChemData

Smile

C[C@]1(CCN(C1=O)[C@H]2CCC3=CC=CC=C23)NC(=O)C4=NC(=CC=C4)Cl

DOS

IR

Vibrations