Geometry & MOs

Info

ID:

438559

PubChem CID:

135228302

Reduced:

ClO2N5C23H28 (1)

Stoich.:

AB2C5D23E28 (1)

Weight, g/mol:

412.141452

ΔHf, kcal/mol:

13.58

Dipole, Da:

6.38

IP(EA), eV:

 -8.54(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[15-chloro-5-methyl-9-(propan-2-yloxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,9,11,14,16-hexaen-5-yl]-1,3-oxazole

Drug info:

PubChemData

Smile

CC(C)CC1COC(=N1)/C(=C/2\CN3C(=NN=C3C4=C(N2C=C)C=CC(=C4)Cl)COC)/C

DOS

IR

Vibrations