Geometry & MOs

Info

ID:	138802
PubChem CID:	52427127
Reduced:	ClSN4O4H25C26 (1)
Stoich.:	ABC4D4E25F26 (1)
Weight, g/mol:	310.054277
ΔH_f, kcal/mol:	-70.79
Dipole, Da:	5.24
IP(EA), eV:	-9.05(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-amino-3-(6-chloro-2-methylquinolin-4-yl)sulfanylpropanoate

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(=CC(=N2)C3=CC=C(C=C3)OC)C(=O)NCC4=CC=CC=C4Cl)[C@H]5CCS(=O)(=O)C5

DOS

IR

Vibrations