Geometry & MOs

Info

ID:	311053
PubChem CID:	126588969
Reduced:	ClNOSC20H24 (1)
Stoich.:	ABCDE20F24 (1)
Weight, g/mol:	427.04445
ΔH_f, kcal/mol:	-23.75
Dipole, Da:	5.87
IP(EA), eV:	-8.31(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(4-ethyl-2-fluorophenoxy)methyl]-3-iodophenyl]-N-methylacetamide

Drug info:

PubChemData

Smile

CCC1=C(C=C(C(=C1)C)OCC2=C(C=CC=C2Cl)NC(=S)CC)C

DOS

IR

Vibrations