Geometry & MOs

Info

ID:	134152
PubChem CID:	51653376
Reduced:	N3S3O5H12C13 (1)
Stoich.:	A3B3C5D12E13 (1)
Weight, g/mol:	330.218152
ΔH_f, kcal/mol:	-63.98
Dipole, Da:	3.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.198380
Charge, e:	1

Chem-info

IUPAC name:

(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ylpropyl)azanium

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)S(=O)(=O)[N-]C2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

DOS

IR

Vibrations