Geometry & MOs

Info

ID:	296337
PubChem CID:	117569309
Reduced:	ClNSC10H14 (1)
Stoich.:	ABCD10E14 (1)
Weight, g/mol:	219.028476
ΔH_f, kcal/mol:	-2.04
Dipole, Da:	2.59
IP(EA), eV:	-8.5(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-4-fluoroanilino)propane-1-thiol

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NCCCS

DOS

IR

Vibrations