Geometry & MOs

Info

ID:	391192
PubChem CID:	135003484
Reduced:	CrN2O2Cl3H11C14 (1)
Stoich.:	AB2C2D3E11F14 (1)
Weight, g/mol:	443.87601
ΔH_f, kcal/mol:	33.59
Dipole, Da:	6.12
IP(EA), eV:	-8.22(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-fluoro-4-[(1Z)-1,2,3,4-tetrachloro-4-(4-fluorophenyl)sulfanylbuta-1,3-dienyl]sulfanylbenzene

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC(=NC=C2C(=[Cr])OC)C(Cl)(Cl)Cl

DOS

IR

Vibrations