Geometry & MOs

Info

ID:

185025

PubChem CID:

77241625

Reduced:

Cl2F2O3N4H28C29 (1)

Stoich.:

A2B2C3D4E28F29 (1)

Weight, g/mol:

645.177041

ΔHf, kcal/mol:

-178.35

Dipole, Da:

8.12

IP(EA), eV:

 -9.08(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-5-(3-cyano-4-hydroxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-8-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CC2C(CC(=O)NC2C(C1)C3=C(N=C(N3)C(CC4=CC=CC=C4)NC(=O)C=CC5=C(C=CC(=C5F)Cl)F)Cl)O

DOS

IR

Vibrations