Geometry & MOs

Info

ID:	307349
PubChem CID:	125299653
Reduced:	SO3N4H12C13 (1)
Stoich.:	AB3C4D12E13 (1)
Weight, g/mol:	304.063011
ΔH_f, kcal/mol:	-55.53
Dipole, Da:	2.88
IP(EA), eV:	-8.79(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[(2S)-2-methyl-2,3-dihydro-1,3,4-thiadiazol-5-yl]-2,4-dioxo-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1NN=C(S1)NC(=O)[C@@H]2C(=O)C3=CC=CC=C3NC2=O

DOS

IR

Vibrations