Geometry & MOs

Info

ID:

190567

PubChem CID:

78021212

Reduced:

SSiN3O5C42H55 (1)

Stoich.:

ABC3D5E42F55 (1)

Weight, g/mol:

469.10906

ΔHf, kcal/mol:

-216.63

Dipole, Da:

6.65

IP(EA), eV:

 -8.42(0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-chloro-N-[1-[4-(4,5-dichlorocyclohexa-2,4-dien-1-yl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(CC1=CC(=CC=C1)CC(=O)NC2CC3=CC=CC=C3C2)NCC(CC(C)(C)[Si](C)(C)O)C4=CC(=C(C=C4)OCC5=CC=CC=C5)NS(=O)(=O)C

DOS

IR

Vibrations