Geometry & MOs

Info

ID:

334436

PubChem CID:

127252988

Reduced:

ClNO5C26H30 (1)

Stoich.:

ABC5D26E30 (1)

Weight, g/mol:

426.078662

ΔHf, kcal/mol:

-193.16

Dipole, Da:

4.48

IP(EA), eV:

 -8.75(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-5-yl)oxy]-N-(1,3-thiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NC4C5CC6CC(C5)CC4C6

DOS

IR

Vibrations