Geometry & MOs

Info

ID:	147331
PubChem CID:	53786987
Reduced:	SO3N5C19H26 (1)
Stoich.:	AB3C5D19E26 (1)
Weight, g/mol:	484.293722
ΔH_f, kcal/mol:	-12.51
Dipole, Da:	5.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.781510
Charge, e:	0

Chem-info

IUPAC name:

3-(3,7-dimethylocta-2,6-dienoxy)-4-methoxy-7-nitro-1-octylquinolin-2-one

Drug info:

PubChemData

Smile

CCN1CCN(CC1)[N+]2=NOC(=C2)NC(=O)CCCSC(=O)C3=CC=CC=C3

DOS

IR

Vibrations