Geometry & MOs

Info

ID:	310894
PubChem CID:	126588388
Reduced:	NSO2F3C20H22 (1)
Stoich.:	ABC2D3E20F22 (1)
Weight, g/mol:	494.99768
ΔH_f, kcal/mol:	-210.33
Dipole, Da:	5.0
IP(EA), eV:	-8.82(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-methyl N-[2-[[4-ethyl-2-(trifluoromethyl)phenoxy]methyl]-3-iodophenyl]carbamothioate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC=C2NC(=S)OC)CC)C(F)(F)F

DOS

IR

Vibrations