Geometry & MOs

Info

ID:	246139
PubChem CID:	103046606
Reduced:	ClFNOSH11C14 (1)
Stoich.:	ABCDEF11G14 (1)
Weight, g/mol:	325.033956
ΔH_f, kcal/mol:	-32.44
Dipole, Da:	3.8
IP(EA), eV:	-8.76(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations