Geometry & MOs

Info

ID:

422556

PubChem CID:

135118029

Reduced:

ClON4C16H17 (1)

Stoich.:

ABC4D16E17 (1)

Weight, g/mol:

703.290051

ΔHf, kcal/mol:

26.24

Dipole, Da:

3.28

IP(EA), eV:

 -9.4(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,22R,25S)-22-benzyl-25-[(1R)-1-hydroxyethyl]-2-(2-methylpropyl)-11-oxa-30-thia-3,6,15,16,17,20,23,26,31-nonazatetracyclo[26.2.1.115,18.05,10]dotriaconta-1(31),5(10),6,8,16,18(32),28-heptaene-4,21,24,27-tetrone

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC(=N2)CN(CCO)CC3=NC=CN3)C=C1Cl

DOS

IR

Vibrations