Geometry & MOs

Info

ID:	391442
PubChem CID:	135005101
Reduced:	ClBr3S3H12C22 (1)
Stoich.:	AB3C3D12E22 (1)
Weight, g/mol:	276.096186
ΔH_f, kcal/mol:	165.82
Dipole, Da:	1.28
IP(EA), eV:	-8.51(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1,2-difluoro-2-(4-methylphenoxy)ethenoxy]-4-methylbenzene

Drug info:

PubChemData

Smile

C1=CC(=CC=C1SC(=C=C=C(SC2=CC=C(C=C2)Br)Cl)SC3=CC=C(C=C3)Br)Br

DOS

IR

Vibrations