Geometry & MOs

Info

ID:

393092

PubChem CID:

135019325

Reduced:

SiO5C36H52 (1)

Stoich.:

AB5C36D52 (1)

Weight, g/mol:

634.1328

ΔHf, kcal/mol:

-221.85

Dipole, Da:

4.93

IP(EA), eV:

 -8.82(0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R,5'Z,9'S)-5'-(6-bromoindol-3-ylidene)-2-methoxy-9'-methyl-13'-phenylmethoxyspiro[1,4-dihydroimidazole-5,8'-3,6,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),10(17),11,13-pentaene]-4'-one

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCCCC3=CC[C@H]4C3(C(CC(C4)COCOC)OCOC)CC=C

DOS

IR

Vibrations