Geometry & MOs

Info

ID:	310832
PubChem CID:	126588056
Reduced:	NF3O3C19H20 (1)
Stoich.:	AB3C3D19E20 (1)
Weight, g/mol:	455.0416
ΔH_f, kcal/mol:	-265.37
Dipole, Da:	6.21
IP(EA), eV:	-8.99(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-methyl N-[2-[(2,4-diethylphenoxy)methyl]-3-iodophenyl]carbamothioate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1C)OCC2=CC=CC=C2NC(=O)OC)C(F)(F)F

DOS

IR

Vibrations