Geometry & MOs

Info

ID:	178988
PubChem CID:	76413903
Reduced:	N2O6C17H23 (1)
Stoich.:	A2B6C17D23 (1)
Weight, g/mol:	352.124549
ΔH_f, kcal/mol:	-230.35
Dipole, Da:	2.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.761010
Charge, e:	0

Chem-info

IUPAC name:

6-(1-phenylethylimino)-7-propylsulfanylquinoline-5,8-dione

Drug info:

PubChemData

Smile

CC1CC(C[N+]1(C(=O)O)C(=O)OCC2=CC=CC=C2)OC(=O)N(C)C

DOS

IR

Vibrations