Geometry & MOs

Info

ID:	288960
PubChem CID:	104329061
Reduced:	FCl2O2H13C16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	307.939633
ΔH_f, kcal/mol:	-100.89
Dipole, Da:	5.3
IP(EA), eV:	-8.97(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dichloro-3-[chloro-(4-fluoro-2-methylphenyl)methyl]thiophene

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)C(C2=CC3=C(C=C2Cl)OCCO3)Cl

DOS

IR

Vibrations