Geometry & MOs

Info

ID:	185387
PubChem CID:	77293550
Reduced:	ClSN2O2H15C20 (1)
Stoich.:	ABC2D2E15F20 (1)
Weight, g/mol:	435.125277
ΔH_f, kcal/mol:	28.69
Dipole, Da:	6.01
IP(EA), eV:	-9.38(-2.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(8-methoxy-4-oxo-8H-thieno[2,3-c]quinolin-9-yl)phenyl]piperazine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(CC1=CC=C(C=C1)C2=C3C4=C(C(=O)N=C3C(=CC2=O)Cl)SC=C4)N

DOS

IR

Vibrations