Geometry & MOs

Info

ID:

218583

PubChem CID:

85089645

Reduced:

ClF2N3O7H14C20 (1)

Stoich.:

AB2C3D7E14F20 (1)

Weight, g/mol:

481.02826

ΔHf, kcal/mol:

-328.67

Dipole, Da:

10.83

IP(EA), eV:

 -9.64(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-bromo-11-methyl-10-(3-methylbut-2-enyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-2-yl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NC(=O)CC(=O)O)NC(=O)NC(=O)C2=CC(=C(C=C2Cl)F)F)C=CC(=O)O

DOS

IR

Vibrations