Geometry & MOs

Info

ID:	246132
PubChem CID:	103046379
Reduced:	ClFNOC16H17 (1)
Stoich.:	ABCDE16F17 (1)
Weight, g/mol:	246.039375
ΔH_f, kcal/mol:	-53.69
Dipole, Da:	0.49
IP(EA), eV:	-8.86(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-chloro-2-fluorophenyl)methyl-methylamino]ethanethioamide

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)OCC2=C(C=CC(=C2)Cl)F)NC

DOS

IR

Vibrations