Geometry & MOs

Info

ID:

445180

PubChem CID:

135264787

Reduced:

N5H35C54 (1)

Stoich.:

A5B35C54 (1)

Weight, g/mol:

421.146013

ΔHf, kcal/mol:

279.24

Dipole, Da:

3.38

IP(EA), eV:

 -8.12(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(8-methylsulfanyl-7-oxo-5,6-dihydro-1,8-naphthyridin-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C3=C2C=CC(=C3)C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=CC=CC=C7)C8=NC(=CC(=N8)C9=CC=C(C=C9)C1=CC=C(C=C1)C#N)C1=CC=CC=C1

DOS

IR

Vibrations