Geometry & MOs

Info

ID:	311013
PubChem CID:	126588808
Reduced:	ClFNSO2C17H17 (1)
Stoich.:	ABCDE2F17G17 (1)
Weight, g/mol:	387.091613
ΔH_f, kcal/mol:	-82.08
Dipole, Da:	1.9
IP(EA), eV:	-8.75(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-methyl N-[2-[(4-ethyl-2-fluorophenoxy)methyl]-3-(trifluoromethyl)phenyl]carbamothioate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC=C2Cl)NC(=S)OC)F

DOS

IR

Vibrations