Geometry & MOs

Info

ID:	311019
PubChem CID:	126588828
Reduced:	BrNF3O3C19H19 (1)
Stoich.:	ABC3D3E19F19 (1)
Weight, g/mol:	337.094806
ΔH_f, kcal/mol:	-259.46
Dipole, Da:	4.04
IP(EA), eV:	-9.23(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-methyl N-[2-[(4-ethyl-2-fluorophenoxy)methyl]-3-fluorophenyl]carbamothioate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations