Geometry & MOs

Info

ID:

164332

PubChem CID:

74382988

Reduced:

N2O5H26C28 (1)

Stoich.:

A2B5C26D28 (1)

Weight, g/mol:

605.233574

ΔHf, kcal/mol:

-118.13

Dipole, Da:

3.19

IP(EA), eV:

 -9.46(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-chloro-3'-(3-chlorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[2-[4-(hydroxymethyl)piperazin-1-yl]ethyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(C(N(C2=O)CC3=CC=CC=C3)C(=O)OCC=CC4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations