Geometry & MOs

Info

ID:

51278

PubChem CID:

12013923

Reduced:

NO4H21C25 (1)

Stoich.:

AB4C21D25 (1)

Weight, g/mol:

515.165663

ΔHf, kcal/mol:

-61.16

Dipole, Da:

3.17

IP(EA), eV:

 -8.65(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

13-[(2,4-dimethoxyphenyl)methyl]-7,19-difluoro-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),4(9),5,7,17(22),18,20-heptaene-12,14-dione

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)CN2C(=O)C(=C(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC

DOS

IR

Vibrations