Geometry & MOs

Info

ID:

132731

PubChem CID:

51408912

Reduced:

ON5H21C22 (1)

Stoich.:

AB5C21D22 (1)

Weight, g/mol:

408.086073

ΔHf, kcal/mol:

85.35

Dipole, Da:

4.39

IP(EA), eV:

 -8.82(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(15R)-3,8-bis(methylsulfanyl)-15-propan-2-yl-16-oxa-19-thia-2,4,5,7,9,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,13(18)-pentaene

Drug info:

PubChemData

Smile

CC(=NCCC1=CN=CN1)[C@H]2C(=NN(C2=O)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations