Geometry & MOs

Info

ID:	207619
PubChem CID:	80427961
Reduced:	N2S2O3H10C11 (1)
Stoich.:	A2B2C3D10E11 (1)
Weight, g/mol:	268.081639
ΔH_f, kcal/mol:	-50.81
Dipole, Da:	3.48
IP(EA), eV:	-9.04(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(propylamino)-3-(1,2,4-thiadiazol-5-ylsulfanyl)cyclopentane-1-carbonitrile

Drug info:

PubChemData

Smile

CC1=NSC(=N1)SCC(=O)C2=CC(=C(C=C2)O)O

DOS

IR

Vibrations