Geometry & MOs

Info

ID:	227417
PubChem CID:	87561718
Reduced:	OSCl2N3C12H13 (1)
Stoich.:	ABC2D3E12F13 (1)
Weight, g/mol:	552.96425
ΔH_f, kcal/mol:	6.16
Dipole, Da:	5.98
IP(EA), eV:	-8.85(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-[2,6-dichloro-4-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)phenyl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C(CN(C)C2=C(N=C(C=C2)Cl)Cl)O

DOS

IR

Vibrations