Geometry & MOs

Info

ID:	311036
PubChem CID:	126588899
Reduced:	NO2F3C22H24 (1)
Stoich.:	AB2C3D22E24 (1)
Weight, g/mol:	469.05725
ΔH_f, kcal/mol:	-209.89
Dipole, Da:	6.16
IP(EA), eV:	-8.86(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-methyl N-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-iodophenyl]-N-methylcarbamothioate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC=C2NC(=O)CC)C3CC3)C(F)(F)F

DOS

IR

Vibrations