Geometry & MOs

Info

ID:	188568
PubChem CID:	77735721
Reduced:	BrN5O5H26C28 (1)
Stoich.:	AB5C5D26E28 (1)
Weight, g/mol:	388.167459
ΔH_f, kcal/mol:	-84.76
Dipole, Da:	3.75
IP(EA), eV:	-8.49(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2,6-dimethyl-4-phenylphenyl)-5-oxo-10-oxatricyclo[5.2.1.02,6]dec-3-en-3-yl] acetate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCCC(=O)NC2=CC=CC3=C2NC(=C3)C(=O)NC4=C(C=C(C=C4)Br)C5NC(=O)ON5

DOS

IR

Vibrations