Geometry & MOs

Info

ID:	329567
PubChem CID:	126738399
Reduced:	SN2F4O4H20C22 (1)
Stoich.:	AB2C4D4E20F22 (1)
Weight, g/mol:	238.02185
ΔH_f, kcal/mol:	-325.86
Dipole, Da:	3.51
IP(EA), eV:	-9.8(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-1-ethyl-2-iodo-1,2,3-trimethylcyclopropane

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H]1CC(C2=C(C=CC(=C12)OC3=CC(=CC(=C3)C#N)F)SC(F)(F)F)O

DOS

IR

Vibrations