Geometry & MOs

Info

ID:	380960
PubChem CID:	134971571
Reduced:	NO2F3H19C23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	557.6967
ΔH_f, kcal/mol:	-106.74
Dipole, Da:	2.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759668
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-3-[iodo-(2-iodothiophen-3-yl)methyl]thiophene

Drug info:

PubChemData

Smile

CO[C@@](C1=CC=CC=C1)(C(=O)[N+](=CC2=CC=CC=C2)C3=CC=CC=C3)C(F)(F)F

DOS

IR

Vibrations