Geometry & MOs

Info

ID:

307858

PubChem CID:

125310007

Reduced:

SCl2N6H14C18 (1)

Stoich.:

AB2C6D14E18 (1)

Weight, g/mol:

539.205636

ΔHf, kcal/mol:

180.05

Dipole, Da:

5.28

IP(EA), eV:

 -8.98(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2R,8R)-6-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethoxy-3-methoxyphenyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-10,12,14,16-tetraene-4,7-dione

Drug info:

PubChemData

Smile

C1C(=NN=C1C2=NN[C@H](N2/N=C\C3=CC(=C(C=C3)Cl)Cl)S)C4=CC=CC=C4

DOS

IR

Vibrations