Geometry & MOs

Info

ID:	214440
PubChem CID:	84982139
Reduced:	SO2N3C23H24 (1)
Stoich.:	AB2C3D23E24 (1)
Weight, g/mol:	409.163771
ΔH_f, kcal/mol:	19.38
Dipole, Da:	11.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.957698
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[[1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 2-(furan-2-yl)quinoline-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1)N(C(=O)C2=O)C[NH+]3CCCCC3C4=NC5=CC=CC=C5S4

DOS

IR

Vibrations