Geometry & MOs

Info

ID:	185386
PubChem CID:	77292647
Reduced:	FPN3O9C24H28 (1)
Stoich.:	ABC3D9E24F28 (1)
Weight, g/mol:	382.054277
ΔH_f, kcal/mol:	-399.56
Dipole, Da:	5.25
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.279791
Charge, e:	0

Chem-info

IUPAC name:

9-[4-(2-aminopropyl)phenyl]-6-chlorothieno[2,3-c]quinoline-4,8-dione

Drug info:

PubChemData

Smile

CC(C(=O)OC)N=P(=O)OC1=C(C=CC2=CC=CC=C21)OCC3C(C(C(O3)N4CCC(=O)NC4=O)(C)F)O

DOS

IR

Vibrations