Geometry & MOs

Info

ID:

162561

PubChem CID:

57395078

Reduced:

ClNO5H21C23 (2)

Stoich.:

ABC5D21E23 (2)

Weight, g/mol:

528.09203

ΔHf, kcal/mol:

-336.98

Dipole, Da:

3.96

IP(EA), eV:

 -8.47(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-chloro-N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]quinoline-3-sulfonamide;hydrochloride

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1C3=C(C\4=C(C(=C(C(=O)/C4=C\NC(C(=O)O)C5=CC=C(C=C5)Cl)O)C(C)C)C=C3C)O)O)/C(=C/NC(C(=O)O)C6=CC=C(C=C6)Cl)/C(=O)C(=C2C(C)C)O

DOS

IR

Vibrations