Geometry & MOs

Info

ID:

146423

PubChem CID:

53687541

Reduced:

O31H32C51 (1)

Stoich.:

A31B32C51 (1)

Weight, g/mol:

480.278364

ΔHf, kcal/mol:

-1134.03

Dipole, Da:

9.14

IP(EA), eV:

 -10.59(-2.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[3-[2-[2-(2H-tetrazol-5-yl)ethylsulfanyl]pentadeca-3,5-dienyl]phenyl]-2H-tetrazole

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)O)C(=O)OC[C@H]([C@H]([C@@H]([C@H](C=O)OC(=O)C2=C(C=CC(=C2)C(=O)O)C(=O)O)OC(=O)C3=C(C=CC(=C3)C(=O)O)C(=O)O)OC(=O)C4=C(C=CC(=C4)C(=O)O)C(=O)O)OC(=O)C5=C(C=CC(=C5)C(=O)O)C(=O)O)C(=O)O

DOS

IR

Vibrations