Geometry & MOs

Info

ID:

383369

PubChem CID:

134975056

Reduced:

NOH25C27 (1)

Stoich.:

ABC25D27 (1)

Weight, g/mol:

604.391646

ΔHf, kcal/mol:

35.33

Dipole, Da:

3.28

IP(EA), eV:

 -8.08(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5,11,17-tritert-butyl-23,28-dimethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-25,26,27-triol

Drug info:

PubChemData

Smile

C1CCC(=O)C(C1)C2C3=CC=CC=C3C=C(N2C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations