Geometry & MOs

Info

ID:	310921
PubChem CID:	126588495
Reduced:	NSO3C18H21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	349.114793
ΔH_f, kcal/mol:	-40.42
Dipole, Da:	3.32
IP(EA), eV:	-8.76(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations