Geometry & MOs

Info

ID:	246142
PubChem CID:	103046609
Reduced:	ClNOSF2H10C14 (1)
Stoich.:	ABCDE2F10G14 (1)
Weight, g/mol:	328.984419
ΔH_f, kcal/mol:	-84.02
Dipole, Da:	3.03
IP(EA), eV:	-8.36(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-[(5-chloro-2-fluorophenyl)methoxy]benzenecarbothioamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)C(=S)N)OCC2=C(C=CC(=C2)Cl)F

DOS

IR

Vibrations