Geometry & MOs

Info

ID:

219560

PubChem CID:

85149190

Reduced:

BrFO2N4C29H34 (1)

Stoich.:

ABC2D4E29F34 (1)

Weight, g/mol:

569.2162

ΔHf, kcal/mol:

-61.47

Dipole, Da:

5.23

IP(EA), eV:

 -8.78(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 6,7-dimethoxy-15,16-dimethyl-3,20,22-trioxo-21-phenyl-2,10,21-triazahexacyclo[10.6.5.02,11.04,9.013,18.019,23]tricosa-4,6,8,10,15-pentaene-18-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NCCCCN=C(N)NC(=O)C2=C(C(=CC=C2)F)CCC3=C(C=CC(=C3)Br)OC

DOS

IR

Vibrations