Geometry & MOs

Info

ID:

189065

PubChem CID:

77812070

Reduced:

ClN5O9C40H56 (1)

Stoich.:

AB5C9D40E56 (1)

Weight, g/mol:

882.518712

ΔHf, kcal/mol:

-360.76

Dipole, Da:

4.11

IP(EA), eV:

 -8.69(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,5-bis[[tert-butyl(diphenyl)silyl]oxy]cyclohexyl] 1,10-dimethyl-1,2,3,3a,4,4a,4b,5,6,7,8,8a,9,9a,10,10a-hexadecahydropyrrolo[3,2-b]carbazole-2-carboxylate

Drug info:

PubChemData

Smile

CCOC1=NC2=C(C=CC(=C2Cl)OC)C(=C1)OC3CC(N(C3)C(=O)C(C(C)(C)C)NC(=O)OC(C)(C)C)C(=O)NC4(CC4C=C)C(=O)NCCOC5(CC5)C

DOS

IR

Vibrations