Geometry & MOs

Info

ID:

185020

PubChem CID:

77241040

Reduced:

SiN3O4C26H37 (1)

Stoich.:

AB3C4D26E37 (1)

Weight, g/mol:

620.181792

ΔHf, kcal/mol:

-84.9

Dipole, Da:

4.89

IP(EA), eV:

 -9.19(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-5-(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

CC[Si](CC)(CC)OC1C(CC(OC1C2CC2)C3=C(C=NC=C3)[N+](=O)[O-])NCC4=CC=CC=C4

DOS

IR

Vibrations