Geometry & MOs

Info

ID:	263886
PubChem CID:	103404573
Reduced:	SCl2F2H8C12 (1)
Stoich.:	AB2C2D8E12 (1)
Weight, g/mol:	331.863553
ΔH_f, kcal/mol:	-68.34
Dipole, Da:	2.88
IP(EA), eV:	-9.24(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dichloro-3-[chloro-(3-chloro-4-methylthiophen-2-yl)methyl]thiophene

Drug info:

PubChemData

Smile

CC1=CSC(=C1Cl)C(C2=CC(=C(C=C2)F)F)Cl

DOS

IR

Vibrations