Geometry & MOs

Info

ID:	310988
PubChem CID:	126588707
Reduced:	NO4C22H29 (1)
Stoich.:	AB4C22D29 (1)
Weight, g/mol:	415.122913
ΔH_f, kcal/mol:	-164.36
Dipole, Da:	2.97
IP(EA), eV:	-8.12(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-(fluoromethyl) N-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-(trifluoromethyl)phenyl]carbamothioate

Drug info:

PubChemData

Smile

CCC1=C(C=C(C(=C1)C)OCC2=C(C=CC=C2OCC)NC(=O)OCC)C

DOS

IR

Vibrations