Geometry & MOs

Info

ID:	133224
PubChem CID:	51495716
Reduced:	SN2O3C18H25 (1)
Stoich.:	AB2C3D18E25 (1)
Weight, g/mol:	348.150764
ΔH_f, kcal/mol:	-91.96
Dipole, Da:	6.42
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.328057
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations