Geometry & MOs

Info

ID:

308528

PubChem CID:

125333407

Reduced:

O5N6H46C51 (1)

Stoich.:

A5B6C46D51 (1)

Weight, g/mol:

822.352969

ΔHf, kcal/mol:

18.33

Dipole, Da:

5.26

IP(EA), eV:

 -8.89(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R)-1-cyclohexyloxycarbonyloxyethyl] 2-methyl-3-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NN(N=N5)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C(=O)O[C@H](C)OC(=O)OC9CCCCC9

DOS

IR

Vibrations