Geometry & MOs

Info

ID:	206211
PubChem CID:	80219554
Reduced:	ClSN3C11H12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	183.015413
ΔH_f, kcal/mol:	43.78
Dipole, Da:	2.83
IP(EA), eV:	-9.32(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-fluoro-2-isothiocyanato-4-methoxybenzene

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CC(C2=NC=C(C=C2)Cl)N

DOS

IR

Vibrations