Geometry & MOs

Info

ID:	263896
PubChem CID:	103405661
Reduced:	ClOSN2C16H21 (1)
Stoich.:	ABCD2E16F21 (1)
Weight, g/mol:	287.994255
ΔH_f, kcal/mol:	-16.99
Dipole, Da:	3.62
IP(EA), eV:	-8.58(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]-4-methylthiophene

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1OC)C)CC(C2=C(C(=CS2)C)Cl)NC

DOS

IR

Vibrations