Geometry & MOs

Info

ID:	49540
PubChem CID:	11533206
Reduced:	SCl2O3N4H16C22 (1)
Stoich.:	AB2C3D4E16F22 (1)
Weight, g/mol:	486.10419
ΔH_f, kcal/mol:	-16.24
Dipole, Da:	2.39
IP(EA), eV:	-9.0(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,5R,9S)-1-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3,6-dioxo-2-oxaspiro[4.5]dec-7-en-9-yl] 4-bromobenzoate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N2C(=CC(=N2)C3=CC=CS3)NC(=O)NC4=C(C(=CC=C4)Cl)Cl)CC(=O)O

DOS

IR

Vibrations