Geometry & MOs

Info

ID:	310896
PubChem CID:	126588394
Reduced:	NSO2F3C18H18 (1)
Stoich.:	ABC2D3E18F18 (1)
Weight, g/mol:	387.091613
ΔH_f, kcal/mol:	-196.62
Dipole, Da:	5.51
IP(EA), eV:	-8.84(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations