Geometry & MOs

Info

ID:	53117
PubChem CID:	14709614
Reduced:	O2S2Cl3N4H11C18 (1)
Stoich.:	A2B2C3D4E11F18 (1)
Weight, g/mol:	260.941805
ΔH_f, kcal/mol:	64.96
Dipole, Da:	6.34
IP(EA), eV:	-8.92(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dichlorophenoxy)acetyl isothiocyanate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1OCC2=NN3C(=NC(=S)N=C3S2)COC4=CC(=C(C=C4)Cl)Cl)Cl

DOS

IR

Vibrations