Geometry & MOs

Info

ID:	431353
PubChem CID:	135171428
Reduced:	NO6C33H63 (1)
Stoich.:	AB6C33D63 (1)
Weight, g/mol:	435.93911
ΔH_f, kcal/mol:	-391.23
Dipole, Da:	10.12
IP(EA), eV:	-10.07(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-3-[4-(4,5-dibromo-3-methyl-2H-imidazol-1-yl)-1,3-thiazol-2-yl]-8-oxa-3-azabicyclo[3.2.1]octane

Drug info:

PubChemData

Smile

CCC(C)(CC)CC(C(=O)O)C(CC)(CC)CCC(=O)NCCCCCOC(CC(C)C(=O)O)C(C)(CC)CC

DOS

IR

Vibrations