Geometry & MOs

Info

ID:

81970

PubChem CID:

49855419

Reduced:

O2N5C28H29 (1)

Stoich.:

A2B5C28D29 (1)

Weight, g/mol:

444.136845

ΔHf, kcal/mol:

13.25

Dipole, Da:

6.33

IP(EA), eV:

 -8.52(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(2-methoxyethyl)-1-(14-methyl-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,12,14,16-heptaen-16-yl)pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(=CCN(CC1=CC2=C(C=C1)N=CN(C2=O)C)C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4)C

DOS

IR

Vibrations