Geometry & MOs

Info

ID:	325298
PubChem CID:	126682536
Reduced:	SO3N4C35H46 (1)
Stoich.:	AB3C4D35E46 (1)
Weight, g/mol:	618.360363
ΔH_f, kcal/mol:	-87.44
Dipole, Da:	6.94
IP(EA), eV:	-8.37(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-[2-[1-benzothiophen-4-yl(methyl)amino]ethyl-methylamino]butoxy]-N-methyl-N-nonyl-2-oxoquinoline-1-carboxamide

Drug info:

PubChemData

Smile

CCCCCN(CCCC)C(=O)N1C(=O)C=CC2=C1C=C(C=C2)OCCCCN3CCN(CC3)C4=C5C=CSC5=CC=C4

DOS

IR

Vibrations