Geometry & MOs

Info

ID:	310923
PubChem CID:	126588501
Reduced:	NSF3O3C19H20 (1)
Stoich.:	ABC3D3E19F20 (1)
Weight, g/mol:	365.085242
ΔH_f, kcal/mol:	-200.86
Dipole, Da:	2.46
IP(EA), eV:	-8.77(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-methyl N-[3-chloro-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC=C2N(C(=S)OC)O)C(F)(F)F)C

DOS

IR

Vibrations