Geometry & MOs

Info

ID:

314478

PubChem CID:

126621887

Reduced:

NSO2H17C28 (1)

Stoich.:

ABC2D17E28 (1)

Weight, g/mol:

389.125467

ΔHf, kcal/mol:

111.97

Dipole, Da:

5.81

IP(EA), eV:

 -8.52(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=C(C=C2)[N+](=O)[O-])C3=CC4=C(C=C3)C5=C(C=C4)SC6=CC=CC=C65

DOS

IR

Vibrations