Geometry & MOs

Info

ID:	425703
PubChem CID:	135127499
Reduced:	FSN3C13H22 (1)
Stoich.:	ABC3D13E22 (1)
Weight, g/mol:	529.272927
ΔH_f, kcal/mol:	-15.34
Dipole, Da:	3.19
IP(EA), eV:	-8.39(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[(3E,5Z)-4-[9-[(1E,3E,4Z)-3-ethylidenehepta-1,4,6-trienyl]-2-oxo-3,4-didehydrobenzo[h][1,6]naphthyridin-1-yl]-7-methylocta-1,3,5-trien-2-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)C1=CN(N=N1)CCCC(C)/C(=C/SC)/F

DOS

IR

Vibrations