Geometry & MOs

Info

ID:

181315

PubChem CID:

76730599

Reduced:

Cl2O2N7C33H41 (1)

Stoich.:

A2B2C7D33E41 (1)

Weight, g/mol:

575.277551

ΔHf, kcal/mol:

-5.08

Dipole, Da:

5.86

IP(EA), eV:

 -9.72(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[1-[2-(3-chlorophenyl)-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl]pentyl]-N-(2H-tetrazol-5-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CCCCC(C1=CC=C(C=C1)C(=O)NCC2=NNN=N2)N3C(=O)C(=NC34CCC(CC4)C(C)(C)CC)C5=CC(=CC(=C5)Cl)Cl

DOS

IR

Vibrations