Geometry & MOs

Info

ID:	438671
PubChem CID:	135228421
Reduced:	SN4O6C20H28 (1)
Stoich.:	AB4C6D20E28 (1)
Weight, g/mol:	322.063968
ΔH_f, kcal/mol:	-197.05
Dipole, Da:	8.55
IP(EA), eV:	-9.05(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-[(1Z,3E)-4-chloro-1-(methylideneamino)penta-1,3-dienyl]-6-methyl-7,8-dihydroquinolin-5-one

Drug info:

PubChemData

Smile

C1CN(CC(N(CCN1CC(=O)O)CC(=O)O)CC2=CC=C(C=C2)N=C=S)CC(O)O

DOS

IR

Vibrations