Geometry & MOs

Info

ID:	373893
PubChem CID:	131321082
Reduced:	ClNSO2C11H12 (1)
Stoich.:	ABCD2E11F12 (1)
Weight, g/mol:	257.018974
ΔH_f, kcal/mol:	-73.02
Dipole, Da:	4.08
IP(EA), eV:	-8.53(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-3-fluorophenyl)-1-(1,2,4-thiadiazol-3-yl)ethanamine

Drug info:

PubChemData

Smile

COC(=O)C1(CC2=C(C=C(C=C2)Cl)SC1)N

DOS

IR

Vibrations