Geometry & MOs

Info

ID:	311021
PubChem CID:	126588832
Reduced:	FNSO2C17H18 (1)
Stoich.:	ABCD2E17F18 (1)
Weight, g/mol:	445.00087
ΔH_f, kcal/mol:	-78.59
Dipole, Da:	4.5
IP(EA), eV:	-8.77(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations