Geometry & MOs

Info

ID:	260936
PubChem CID:	103210185
Reduced:	NF3O4C12H12 (1)
Stoich.:	AB3C4D12E12 (1)
Weight, g/mol:	417.82497
ΔH_f, kcal/mol:	-303.52
Dipole, Da:	4.59
IP(EA), eV:	-8.96(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-iodophenyl)-(2,5-dichlorothiophen-3-yl)methanol

Drug info:

PubChemData

Smile

C1C(=O)NC2=C(O1)C=CC(=C2)C(COCC(F)(F)F)O

DOS

IR

Vibrations