Geometry & MOs

Info

ID:

231356

PubChem CID:

87573544

Reduced:

O3C4H6 (2)

Stoich.:

A3B4C6 (2)

Weight, g/mol:

660.00823

ΔHf, kcal/mol:

-141.4

Dipole, Da:

2.0

IP(EA), eV:

-9.57(-1.49)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

11,22-dibromo-7,18-di(butan-2-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone

Drug info:

PubChemData

Smile

CC#COOC1[C@@H]([C@@H]([C@H](O1)CO)O)O

DOS

IR

Vibrations