Geometry & MOs

Info

ID:	189851
PubChem CID:	77914414
Reduced:	SN7H17C19 (1)
Stoich.:	AB7C17D19 (1)
Weight, g/mol:	559.955654
ΔH_f, kcal/mol:	171.09
Dipole, Da:	4.33
IP(EA), eV:	-8.24(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-3-[3,5-dichloro-2-[2,6-dinitro-4-(trifluoromethyl)phenoxy]phenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CSC1=NN(C2=NC=NC(=C21)NN=CC3=CC=C(C=C3)N)C4=CC=CC=C4

DOS

IR

Vibrations