Geometry & MOs

Info

ID:

219519

PubChem CID:

85149081

Reduced:

Cl2N4O7C24H28 (1)

Stoich.:

A2B4C7D24E28 (1)

Weight, g/mol:

555.02528

ΔHf, kcal/mol:

-281.52

Dipole, Da:

4.56

IP(EA), eV:

 -8.41(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-bromo-19-ethyl-19-hydroxy-10-methyl-17-oxa-3,6,13-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1COC(=O)NC2=CC=C(C=C2)N(CCCl)CCCl)NC(=O)NC(CCC(=O)O)C(=O)O

DOS

IR

Vibrations