Geometry & MOs

Info

ID:	310950
PubChem CID:	126588589
Reduced:	NSF3O3C19H20 (1)
Stoich.:	ABC3D3E19F20 (1)
Weight, g/mol:	375.150429
ΔH_f, kcal/mol:	-203.75
Dipole, Da:	8.06
IP(EA), eV:	-8.81(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-methyl N-[2-ethoxy-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C(=CC=C2)C(F)(F)F)N(C(=S)OC)O)C

DOS

IR

Vibrations