Geometry & MOs

Info

ID:	69411
PubChem CID:	47169969
Reduced:	ClN2S2H11C14 (1)
Stoich.:	AB2C2D11E14 (1)
Weight, g/mol:	304.054945
ΔH_f, kcal/mol:	72.12
Dipole, Da:	2.21
IP(EA), eV:	-8.6(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-8-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline

Drug info:

PubChemData

Smile

CC1=CSC(=N1)SCC2=C3C(=CC(=C2)Cl)C=CC=N3

DOS

IR

Vibrations