Geometry & MOs

Info

ID:	311049
PubChem CID:	126588934
Reduced:	NSO2F3C21H24 (1)
Stoich.:	ABC2D3E21F24 (1)
Weight, g/mol:	342.183109
ΔH_f, kcal/mol:	-222.1
Dipole, Da:	3.1
IP(EA), eV:	-8.57(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-ethoxy-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]acetate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC=C2N(CC)C(=O)SC)C(F)(F)F)C

DOS

IR

Vibrations