Geometry & MOs

Info

ID:

309449

PubChem CID:

126546344

Reduced:

Cl2O2N7C30H33 (1)

Stoich.:

A2B2C7D30E33 (1)

Weight, g/mol:

613.269879

ΔHf, kcal/mol:

21.48

Dipole, Da:

5.79

IP(EA), eV:

 -8.62(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3-[1-[4-[2-[amino-[(E)-2-amino-2-chloroethenyl]amino]-5-chlorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-6-(methylamino)hexyl]phenyl]piperazine-2-carbaldehyde

Drug info:

PubChemData

Smile

C1CC[C@@H](C2=CC(=CC=C2)N3CCNC[C@@H]3C(=O)NCC1)N4CCC(=CC4=O)C5=C(C=CC(=C5)Cl)N6C=C(N=N6)Cl

DOS

IR

Vibrations