Geometry & MOs

Info

ID:

134494

PubChem CID:

51705547

Reduced:

ClN4O4C19H23 (1)

Stoich.:

AB4C4D19E23 (1)

Weight, g/mol:

508.277124

ΔHf, kcal/mol:

-123.55

Dipole, Da:

17.41

IP(EA), eV:

 -9.1(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[(2R)-1-[[(2R)-1-[[2-[[(2R)-1-[(2-ethoxy-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]azanium

Drug info:

PubChemData

Smile

C[NH+]1CCN2[C@@H](C1)[C@]3(CC4=C2C=CC=C4Cl)C(=O)N=C(N(C3=O)CCOC)[O-]

DOS

IR

Vibrations