Geometry & MOs

Info

ID:	269713
PubChem CID:	103618749
Reduced:	BrINO3C15H17 (1)
Stoich.:	ABCD3E15F17 (1)
Weight, g/mol:	296.119464
ΔH_f, kcal/mol:	-101.19
Dipole, Da:	4.91
IP(EA), eV:	-9.68(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CC2(CCC1NC(=O)C3=C(C=CC(=C3)Br)I)OCCO2

DOS

IR

Vibrations