Geometry & MOs

Info

ID:	81044
PubChem CID:	49854284
Reduced:	SO4N6H24C28 (1)
Stoich.:	AB4C6D24E28 (1)
Weight, g/mol:	713.372613
ΔH_f, kcal/mol:	-25.78
Dipole, Da:	12.55
IP(EA), eV:	-9.04(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxoquinolin-1-yl]methyl hexadecanoate

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)C(=O)NC5=CC=C(C=C5)C#N

DOS

IR

Vibrations