Geometry & MOs

Info

ID:	419658
PubChem CID:	135108673
Reduced:	SN3O4C19H23 (1)
Stoich.:	AB3C4D19E23 (1)
Weight, g/mol:	330.097289
ΔH_f, kcal/mol:	-116.78
Dipole, Da:	4.25
IP(EA), eV:	-9.23(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-7-methylsulfanyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]quinolin-2-amine

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)S(=O)(=O)C)NC2=NC=C(C=C2)C(=O)N3CCOCC3

DOS

IR

Vibrations