Geometry & MOs

Info

ID:	133223
PubChem CID:	51495715
Reduced:	SN2O3C18H24 (1)
Stoich.:	AB2C3D18E24 (1)
Weight, g/mol:	349.158589
ΔH_f, kcal/mol:	-99.45
Dipole, Da:	5.97
IP(EA), eV:	-9.02(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2-methoxy-7-methylquinolin-3-yl)methyl-methyl-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]azanium

Drug info:

PubChemData

Smile

CC1=CC2=NC(=C(C=C2C=C1)CN(C)[C@]3(CCS(=O)(=O)C3)C)OC

DOS

IR

Vibrations