Geometry & MOs

Info

ID:	311030
PubChem CID:	126588857
Reduced:	NSF2O2C20H23 (1)
Stoich.:	ABC2D2E20F23 (1)
Weight, g/mol:	411.03039
ΔH_f, kcal/mol:	-168.77
Dipole, Da:	3.99
IP(EA), eV:	-8.57(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-(fluoromethyl) N-[3-bromo-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamothioate

Drug info:

PubChemData

Smile

CCC1=C(C=C(C(=C1)C)OCC2=C(C=CC=C2NC(=O)SC)C(F)F)C

DOS

IR

Vibrations