Geometry & MOs

Info

ID:	308149
PubChem CID:	125317157
Reduced:	NO4H9C11 (1)
Stoich.:	AB4C9D11 (1)
Weight, g/mol:	367.189592
ΔH_f, kcal/mol:	-91.98
Dipole, Da:	8.08
IP(EA), eV:	-9.47(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,8R)-2,2-dimethyl-6-[[(2S)-oxolan-2-yl]methyl]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-10,12,14,16-tetraene-4,7-dione

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)[C@@H](C(=N2)C(=O)O)C=O

DOS

IR

Vibrations