Geometry & MOs

Info

ID:

43045

PubChem CID:

10318129

Reduced:

Cl2N2O3H14C19 (1)

Stoich.:

A2B2C3D14E19 (1)

Weight, g/mol:

389.131031

ΔHf, kcal/mol:

-55.93

Dipole, Da:

6.49

IP(EA), eV:

 -8.96(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[6-(2-hydroxyethylamino)-11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)COC2=C(N=CC(=C2)C3=CC=C(C=C3)C(=O)O)N)Cl

DOS

IR

Vibrations