Geometry & MOs

Info

ID:

47153

PubChem CID:

10530008

Reduced:

O4N11C23H27 (1)

Stoich.:

A4B11C23D27 (1)

Weight, g/mol:

521.162057

ΔHf, kcal/mol:

-25.86

Dipole, Da:

6.37

IP(EA), eV:

 -8.4(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 9-(3,4-dimethoxyphenyl)-7-[(1-methylimidazol-2-yl)sulfanylmethyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carboxylate

Drug info:

PubChemData

Smile

COC(=O)[C@H](CCC(=O)NC1=NNN=N1)NC(=O)C2=CC=C(C=C2)CCCC3=CNC4=NC(=NC(=C34)N)N

DOS

IR

Vibrations