Geometry & MOs

Info

ID:	192806
PubChem CID:	78314098
Reduced:	SO2N3C14H23 (1)
Stoich.:	AB2C3D14E23 (1)
Weight, g/mol:	397.127385
ΔH_f, kcal/mol:	-55.31
Dipole, Da:	2.74
IP(EA), eV:	-9.31(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5,8-dimethoxy-2-oxo-4aH-quinolin-3-yl)ethyl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

CCCCCCC1CC(C(=O)O1)CCC2NC(=S)N=N2

DOS

IR

Vibrations