Geometry & MOs

Info

ID:	246135
PubChem CID:	103046593
Reduced:	ClFOSN2C13H18 (1)
Stoich.:	ABCDE2F13G18 (1)
Weight, g/mol:	286.070676
ΔH_f, kcal/mol:	-66.26
Dipole, Da:	4.53
IP(EA), eV:	-8.79(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-chloro-2-fluorophenyl)methyl]piperidine-2-carbothioamide

Drug info:

PubChemData

Smile

COCCN(CCC(=S)N)CC1=C(C=CC(=C1)Cl)F

DOS

IR

Vibrations