Geometry & MOs

Info

ID:

442556

PubChem CID:

135252957

Reduced:

NO10C57H91 (1)

Stoich.:

AB10C57D91 (1)

Weight, g/mol:

696.321275

ΔHf, kcal/mol:

-274.64

Dipole, Da:

11.2

IP(EA), eV:

 -6.28(-1.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[5-[9-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridin-3-yl]carbazol-3-yl]-3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]pyridin-2-yl]-5,5-dimethyl-4H-1,3-oxazole

Drug info:

PubChemData

Smile

CCCOC1CC[C@H](C[C@H]1OC)CC(C)[C@@H]2CC(=O)[C@H](/C=C(/[C@H](C(C(=C)[C@@H](C[C@@H](/C=C/C=C/C=C(/[C@@H](C[C@@H]3CC[C@H](C(O3)(C(=O)C(=O)N4CCCCC4C(=O)O2)C)C)OC)\C)C)C)OC)C)\C)C

DOS

IR

Vibrations