Geometry & MOs

Info

ID:

445198

PubChem CID:

135264888

Reduced:

S2N5H29C49 (1)

Stoich.:

A2B5C29D49 (1)

Weight, g/mol:

556.208686

ΔHf, kcal/mol:

284.1

Dipole, Da:

7.34

IP(EA), eV:

 -8.23(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(ethylamino)ethyl [6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl hydrogen phosphate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC=C2)N3C4=C(C=C(C=C4)C5=CC(=NC(=C5)N6C7=CC=CC=C7C8=C6C9=C(C=C8)SC=C9)C1=CC=NC=C1)C1=C3C2=C(C=C1)SC=C2

DOS

IR

Vibrations