Geometry & MOs

Info

ID:

379446

PubChem CID:

134419511

Reduced:

NO3C25H37 (1)

Stoich.:

AB3C25D37 (1)

Weight, g/mol:

722.165294

ΔHf, kcal/mol:

-148.75

Dipole, Da:

6.38

IP(EA), eV:

 -9.1(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S)-2,28-dimethyl-27,45-dioxa-14,15,39,40-tetrathianonacyclo[19.18.2.21,23.117,25.133,37.03,8.07,12.019,24.029,34]pentatetraconta-3,5,7(12),8,10,18,20,22,24,29,31,33,35,37(42)-tetradecaene-2,28-diol

Drug info:

PubChemData

Smile

CCCCCCNC(=O)C1=C(C=CC2=C1C=CC(=C2)CCOCCCCC)CO

DOS

IR

Vibrations