Geometry & MOs

Info

ID:	321487
PubChem CID:	126666245
Reduced:	ClO3N5H12C13 (1)
Stoich.:	AB3C5D12E13 (1)
Weight, g/mol:	549.193357
ΔH_f, kcal/mol:	-60.54
Dipole, Da:	4.95
IP(EA), eV:	-9.17(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-(1-benzothiophen-4-yl)-1-piperazin-1-ylbutoxy]-2-oxo-1H-quinolin-7-yl]butanedioic acid

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=C(N=CN4)N=C3N.Cl

DOS

IR

Vibrations