Geometry & MOs

Info

ID:

133431

PubChem CID:

51525334

Reduced:

SN5H17C21 (1)

Stoich.:

AB5C17D21 (1)

Weight, g/mol:

416.108916

ΔHf, kcal/mol:

146.29

Dipole, Da:

3.48

IP(EA), eV:

 -8.83(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11,13-dimethyl-4-[(3R)-1-methylsulfonylpiperidin-3-yl]-16-thia-3,5,6,8,14-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,7,10(15),11,13-heptaene

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C3=C(S2)C4=NC(=NN4C=N3)[C@H]5C[C@H]5C6=CC=CC=C6)C

DOS

IR

Vibrations