Geometry & MOs

Info

ID:	269712
PubChem CID:	103618740
Reduced:	NCl2O4H9C13 (1)
Stoich.:	AB2C4D9E13 (1)
Weight, g/mol:	464.94365
ΔH_f, kcal/mol:	-120.38
Dipole, Da:	2.79
IP(EA), eV:	-9.19(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-iodobenzamide

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC(=C1)Cl)NC(=O)C2=CC=C(O2)Cl

DOS

IR

Vibrations