Geometry & MOs

Info

ID:	246173
PubChem CID:	103047818
Reduced:	ClFNO2H13C14 (1)
Stoich.:	ABCD2E13F14 (1)
Weight, g/mol:	413.83147
ΔH_f, kcal/mol:	-95.22
Dipole, Da:	1.71
IP(EA), eV:	-9.4(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-2-fluorophenyl)-1-(4,5-dibromothiophen-2-yl)ethanol

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)C(CC2=C(C=CC(=C2)Cl)F)O

DOS

IR

Vibrations