Geometry & MOs

Info

ID:

164921

PubChem CID:

74473185

Reduced:

ClOSN3C15H19 (1)

Stoich.:

ABCD3E15F19 (1)

Weight, g/mol:

307.108267

ΔHf, kcal/mol:

30.34

Dipole, Da:

13.23

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.872258

Charge, e:

 -1

Chem-info

IUPAC name:

2-oxo-3-(1-phenylethylcarbamoyl)-4aH-quinolin-4-olate

Drug info:

PubChemData

Smile

CC1CCC[NH+](C1)CN2C(=S)OC(=N2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations