Geometry & MOs

Info

ID:	200685
PubChem CID:	79427852
Reduced:	ClN2O2S2H9C10 (1)
Stoich.:	AB2C2D2E9F10 (1)
Weight, g/mol:	258.020532
ΔH_f, kcal/mol:	-41.92
Dipole, Da:	2.93
IP(EA), eV:	-9.38(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

C1=C(SC=C1Cl)C=C2C(=O)N(C(=O)S2)CCN

DOS

IR

Vibrations