Geometry & MOs

Info

ID:

184601

PubChem CID:

77182550

Reduced:

ON5C18H22 (2)

Stoich.:

AB5C18D22 (2)

Weight, g/mol:

461.158685

ΔHf, kcal/mol:

67.96

Dipole, Da:

4.14

IP(EA), eV:

 -8.32(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxyquinolin-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCC1=NN(N=C1)C2CC(C(C2O)O)N3C=NC4=C(N=C(N=C43)N5CCC(C5)N6CCCC6)NCC(C7=CC=CC=C7)C8=CC=CC=C8

DOS

IR

Vibrations