Geometry & MOs

Info

ID:

146884

PubChem CID:

53765462

Reduced:

Br2O2N5C48H55 (1)

Stoich.:

A2B2C5D48E55 (1)

Weight, g/mol:

422.17631

ΔHf, kcal/mol:

26.55

Dipole, Da:

3.53

IP(EA), eV:

 -8.7(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[(3-tert-butyl-2-hydroxy-5-methoxyphenyl)methylidene]-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)OCCCC(CCCOC2=CC=CC3=C2N=CC=C3)C(CCCC4=CC=NC=C4)(CCC(CBr)Br)C(C5=CC=NC=C5)C6=CC=NC=C6

DOS

IR

Vibrations