Geometry & MOs

Info

ID:

442630

PubChem CID:

135253470

Reduced:

N5O8C44H55 (1)

Stoich.:

A5B8C44D55 (1)

Weight, g/mol:

751.430885

ΔHf, kcal/mol:

-284.93

Dipole, Da:

11.14

IP(EA), eV:

 -9.03(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2-aminopropanoylamino)-3-[1-[3-[1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butoxy]-3-oxopropyl]imidazol-4-yl]propanoic acid

Drug info:

PubChemData

Smile

CC(C(=O)NC(CC1=CN(C=N1)CCC(=O)OC(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C5=CC=C(C=C5)C(C)(C)C(=O)O)C(=O)O)N

DOS

IR

Vibrations