Geometry & MOs

Info

ID:	310926
PubChem CID:	126588504
Reduced:	NSF2O3C19H21 (1)
Stoich.:	ABC2D3E19F21 (1)
Weight, g/mol:	365.085242
ΔH_f, kcal/mol:	-164.57
Dipole, Da:	2.53
IP(EA), eV:	-8.96(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-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(=O)SC)O)C(F)F)C

DOS

IR

Vibrations