Geometry & MOs

Info

ID:	182915
PubChem CID:	76954579
Reduced:	SO3N4C12H16 (1)
Stoich.:	AB3C4D12E16 (1)
Weight, g/mol:	307.099063
ΔH_f, kcal/mol:	-96.2
Dipole, Da:	5.91
IP(EA), eV:	-9.37(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-oxo-1,3-diazinan-2-yl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1CC(=O)NC(N1)SC2=C(C(=C(N=N2)C)C)C(=O)O

DOS

IR

Vibrations