Geometry & MOs

Info

ID:

333989

PubChem CID:

127252541

Reduced:

ClN3O6C25H32 (1)

Stoich.:

AB3C6D25E32 (1)

Weight, g/mol:

467.148121

ΔHf, kcal/mol:

-236.01

Dipole, Da:

4.41

IP(EA), eV:

 -8.8(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-(5-acetyl-11-methyl-6-oxo-2,5,11-triazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),3(7),9,12,14-pentaen-8-yl)furan-2-yl]benzoic acid

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCCNC(=O)NC4CCCCC4

DOS

IR

Vibrations