Geometry & MOs

Info

ID:	309085
PubChem CID:	126536532
Reduced:	O6F12C33H38 (1)
Stoich.:	A6B12C33D38 (1)
Weight, g/mol:	283.9368
ΔH_f, kcal/mol:	-881.91
Dipole, Da:	5.2
IP(EA), eV:	-10.56(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-iodo-4-methylthiophen-3-yl)-methoxymethanol

Drug info:

PubChemData

Smile

CC(=C)C(=O)OC(C1CC2CC[C@@H]1C2)C(C(F)(F)F)(C(F)(F)F)OC3C4CC5CC3CC(C5)(C4)C(C(C(F)(F)F)(C(F)(F)F)O)OC(=O)C(=C)C

DOS

IR

Vibrations