Geometry & MOs

Info

ID:

221795

PubChem CID:

85286151

Reduced:

BrN4O6C29H43 (1)

Stoich.:

AB4C6D29E43 (1)

Weight, g/mol:

623.11548

ΔHf, kcal/mol:

-330.79

Dipole, Da:

5.34

IP(EA), eV:

 -8.26(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-acetyl-12-acetyloxy-5-(bromomethyl)-3,4-dihydro-1H-tetracen-2-yl] 3-ethyl-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylate

Drug info:

PubChemData

Smile

CCCCC(C(=O)OC)NC(=O)C(CC1=C(NC2=CC=CC=C21)Br)NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations