Geometry & MOs

Info

ID:

314492

PubChem CID:

126621929

Reduced:

FO3N7C28H28 (1)

Stoich.:

AB3C7D28E28 (1)

Weight, g/mol:

405.102624

ΔHf, kcal/mol:

-31.4

Dipole, Da:

5.91

IP(EA), eV:

 -8.78(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-chloro-12-[(3-methoxyazetidin-1-yl)methyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine

Drug info:

PubChemData

Smile

CCN1CCN(CC1=O)CC2=CC3=C(N=C2)OC4=C3N=C(N=C4N5CCOCC5)C6=C(C=CC7=C6C=CN7)F

DOS

IR

Vibrations