Geometry & MOs

Info

ID:

215551

PubChem CID:

85084896

Reduced:

O15C58H88 (1)

Stoich.:

A15B58C88 (1)

Weight, g/mol:

1025.599013

ΔHf, kcal/mol:

-712.67

Dipole, Da:

4.69

IP(EA), eV:

 -8.82(0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[6-[(2,4-dioxo-1,5,7-tripropyl-3-azabicyclo[3.3.1]nonane-7-carbonyl)amino]-9-[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]carbazol-3-yl]-2,4-dioxo-1,5,7-tripropyl-3-azabicyclo[3.3.1]nonane-7-carboxamide

Drug info:

PubChemData

Smile

CC(CC1=CC=CC=C1)C(C(=C)CCC23C(C(C(O2)(C(C(O3)C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)OCCCCCCCCCCCOC4=CC=CC=C4)C(=O)OC(C)(C)C)O)OC(C)(C)OC)OC(=O)C

DOS

IR

Vibrations