Geometry & MOs

Info

ID:	13738
PubChem CID:	397416
Reduced:	NBr2O5C14H15 (1)
Stoich.:	AB2C5D14E15 (1)
Weight, g/mol:	436.92965
ΔH_f, kcal/mol:	-181.71
Dipole, Da:	4.47
IP(EA), eV:	-10.62(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(7,9-dibromo-2,8-dioxo-1-oxaspiro[4.5]deca-6,9-dien-3-yl)carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CC2(C=C(C(=O)C(=C2)Br)Br)OC1=O

DOS

IR

Vibrations