Geometry & MOs

Info

ID:

121908

PubChem CID:

50786331

Reduced:

ClOSN6H17C22 (1)

Stoich.:

ABCD6E17F22 (1)

Weight, g/mol:

466.077886

ΔHf, kcal/mol:

110.72

Dipole, Da:

5.54

IP(EA), eV:

 -9.03(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-chloro-4-fluorophenyl)-2-[[11-(4-methylphenyl)-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaen-5-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN3C=CN4C(=NN=C4SCC(=O)NC5=CC=C(C=C5)Cl)C3=C2

DOS

IR

Vibrations