Geometry & MOs

Info

ID:	138803
PubChem CID:	52427335
Reduced:	ClSN2O2C14H15 (1)
Stoich.:	ABC2D2E14F15 (1)
Weight, g/mol:	261.08235
ΔH_f, kcal/mol:	-55.05
Dipole, Da:	1.94
IP(EA), eV:	-8.91(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(2-methylquinolin-4-yl)sulfanylpropanoate

Drug info:

PubChemData

Smile

CC1=CC(=C2C=C(C=CC2=N1)Cl)SC[C@H](C(=O)OC)N

DOS

IR

Vibrations