Geometry & MOs

Info

ID:	307739
PubChem CID:	125308744
Reduced:	ClN4O4H15C19 (1)
Stoich.:	AB4C4D15E19 (1)
Weight, g/mol:	431.184506
ΔH_f, kcal/mol:	9.96
Dipole, Da:	3.29
IP(EA), eV:	-8.37(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1S,11R,12R,16S)-14-(4-methylphenyl)-13,15-dioxo-9,10,14-triazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=CNN2CN=C3C4=C(C=CC(=C4)Cl)N=C3C2=O)C=C(C1=O)OC

DOS

IR

Vibrations