Geometry & MOs

Info

ID:	263861
PubChem CID:	103402505
Reduced:	FNSO3C13H18 (1)
Stoich.:	ABCD3E13F18 (1)
Weight, g/mol:	303.069592
ΔH_f, kcal/mol:	-140.62
Dipole, Da:	8.44
IP(EA), eV:	-8.36(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-[3-(2-methoxyethoxy)propoxy]benzenecarbothioamide

Drug info:

PubChemData

Smile

COCCOCCCOC1=C(C(=CC=C1)F)C(=S)N

DOS

IR

Vibrations