Geometry & MOs

Info

ID:	310919
PubChem CID:	126588490
Reduced:	NF2O4C20H23 (1)
Stoich.:	AB2C4D20E23 (1)
Weight, g/mol:	409.03473
ΔH_f, kcal/mol:	-209.48
Dipole, Da:	4.67
IP(EA), eV:	-9.58(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-methyl N-[3-bromo-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)OC)O)CC)C(F)F

DOS

IR

Vibrations