Geometry & MOs

Info

ID:	296338
PubChem CID:	117569312
Reduced:	ClFNSC9H11 (1)
Stoich.:	ABCDE9F11 (1)
Weight, g/mol:	231.048463
ΔH_f, kcal/mol:	-39.38
Dipole, Da:	4.22
IP(EA), eV:	-8.7(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NCCCS)Cl)F

DOS

IR

Vibrations