Geometry & MOs

Info

ID:	319928
PubChem CID:	126657611
Reduced:	OSN8H16C28 (1)
Stoich.:	ABC8D16E28 (1)
Weight, g/mol:	356.173607
ΔH_f, kcal/mol:	235.96
Dipole, Da:	8.08
IP(EA), eV:	-8.47(-2.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 8-hydroxy-6-(methylcarbamoyl)-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)N2C3=CC=C(S3)C4=CN=CC5=NC(=C6C7=C(NN6)N=CC(=C7)C8=CC2=CN=C8)N=C45

DOS

IR

Vibrations