Geometry & MOs

Info

ID:	310922
PubChem CID:	126588498
Reduced:	FNSO3C18H20 (1)
Stoich.:	ABCD3E18F20 (1)
Weight, g/mol:	399.111599
ΔH_f, kcal/mol:	-89.13
Dipole, Da:	2.08
IP(EA), eV:	-9.06(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC=C2F)N(C(=S)OC)O)C

DOS

IR

Vibrations