Geometry & MOs

Info

ID:	23416
PubChem CID:	603443
Reduced:	OSN4C12H12 (1)
Stoich.:	ABC4D12E12 (1)
Weight, g/mol:	260.073182
ΔH_f, kcal/mol:	40.78
Dipole, Da:	2.81
IP(EA), eV:	-8.51(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(3-formyl-2-methylquinolin-4-yl)amino]carbamimidothioic acid

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=C1C=O)NN=C(N)S

DOS

IR

Vibrations