Geometry & MOs

Info

ID:	296336
PubChem CID:	117569305
Reduced:	ClNSC9H12 (1)
Stoich.:	ABCD9E12 (1)
Weight, g/mol:	215.053548
ΔH_f, kcal/mol:	7.49
Dipole, Da:	3.37
IP(EA), eV:	-8.49(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloro-2-methylanilino)propane-1-thiol

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NCCCS)Cl

DOS

IR

Vibrations