Geometry & MOs

Info

ID:	165321
PubChem CID:	74531736
Reduced:	FO3N4C24H24 (1)
Stoich.:	AB3C4D24E24 (1)
Weight, g/mol:	314.083747
ΔH_f, kcal/mol:	-39.96
Dipole, Da:	4.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.109881
Charge, e:	0

Chem-info

IUPAC name:

2-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4aH-quinoline-4-carboxamide

Drug info:

PubChemData

Smile

COCCCNC(=O)C1=C[NH+](C=C2C1=NN(C2=O)C3=CC=CC=C3)CC4=CC=C(C=C4)F

DOS

IR

Vibrations