Geometry & MOs

Info

ID:

187485

PubChem CID:

77580087

Reduced:

ClO2N3C17H22 (2)

Stoich.:

AB2C3D17E22 (2)

Weight, g/mol:

692.264459

ΔHf, kcal/mol:

-163.39

Dipole, Da:

7.25

IP(EA), eV:

 -8.57(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-(3,4-dichlorophenyl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-1H-benzo[e]benzimidazol-3-yl)piperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2CCN(CC2)C(=O)C(CC3=CC(=C(C=C3)Cl)Cl)C4CC(CCN4C(=O)O)N5CCC6=CC=CC=C6NC5=O

DOS

IR

Vibrations