Geometry & MOs

Info

ID:	220395
PubChem CID:	85182355
Reduced:	N2O6H26C27 (1)
Stoich.:	A2B6C26D27 (1)
Weight, g/mol:	474.03142
ΔH_f, kcal/mol:	-157.07
Dipole, Da:	4.27
IP(EA), eV:	-8.47(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 12-bromo-3,6-dimethyl-9,14-dioxo-17-oxapentacyclo[6.6.2.13,6.01,11.02,7]heptadeca-4,10,12,15-tetraene-4,5-dicarboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C3C(C(C2=O)O)N(C(=O)C3OCC4=CC=CC=C4)C5=CC=C(C=C5)OC

DOS

IR

Vibrations