Geometry & MOs

Info

ID:

394990

PubChem CID:

135024361

Reduced:

NO11C61H69 (1)

Stoich.:

AB11C61D69 (1)

Weight, g/mol:

531.171559

ΔHf, kcal/mol:

-278.03

Dipole, Da:

3.82

IP(EA), eV:

 -8.89(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

diethyl 2-[5-(4-methylphenyl)sulfonyl-6,11-dihydrobenzo[b]carbazol-11-yl]propanedioate

Drug info:

PubChemData

Smile

C=CCOC[C@]12[C@H]([C@@H]([C@H](O1)COCCN(CCOC[C@@H]3[C@H]([C@@H]([C@H](C(O3)O2)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)CC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9

DOS

IR

Vibrations