Geometry & MOs

Info

ID:	361218
PubChem CID:	127302173
Reduced:	SO3N4C20H20 (1)
Stoich.:	AB3C4D20E20 (1)
Weight, g/mol:	388.156912
ΔH_f, kcal/mol:	-34.93
Dipole, Da:	4.32
IP(EA), eV:	-8.99(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-4-oxocinnoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)N2CCN(CC2)C(=O)C3=NN(C4=CC=CC=C4C3=O)C

DOS

IR

Vibrations