Geometry & MOs

Info

ID:

218890

PubChem CID:

85090121

Reduced:

ClO8H23C28 (1)

Stoich.:

AB8C23D28 (1)

Weight, g/mol:

521.147488

ΔHf, kcal/mol:

-251.99

Dipole, Da:

1.11

IP(EA), eV:

 -9.92(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-[(dimethylamino)methyl]phenyl]-9-oxo-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1(12),2,4,6,8(13),10-hexaen-6-yl]-2-fluoro-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)C(=O)CCl)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations