Geometry & MOs

Info

ID:	84055
PubChem CID:	49863911
Reduced:	ClO2N3H20C24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	525.196524
ΔH_f, kcal/mol:	-10.14
Dipole, Da:	2.68
IP(EA), eV:	-8.74(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-[(7-chloroquinolin-4-yl)amino]ethyl-ethylamino]ethyl]-5-(dimethylamino)naphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

C1CN(C[C@H]1O)CC2=C3CN4C(=CC5=CC=CC=C5C4=O)C3=NC6=C2C=CC(=C6)Cl

DOS

IR

Vibrations