Geometry & MOs

Info

ID:

442629

PubChem CID:

135253469

Reduced:

N9O13C29H51 (1)

Stoich.:

A9B13C29D51 (1)

Weight, g/mol:

781.405064

ΔHf, kcal/mol:

-568.77

Dipole, Da:

10.38

IP(EA), eV:

 -9.35(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[1-[3-[4-[2-(2-aminopropanoylamino)-2-carboxyethyl]imidazol-1-yl]propanoyloxy]-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC(C(=O)NC(CC1=CN(C=N1)CCC(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@H]3[C@@H](C[C@@H]([C@H]([C@@H]3O)O[C@@H]4[C@@H](C[C@@H]([C@H](O4)N)O)N)N)N)O)N)O)C(=O)O)N

DOS

IR

Vibrations