Geometry & MOs

Info

ID:	431288
PubChem CID:	135171359
Reduced:	ClFO2N3C17H19 (1)
Stoich.:	ABC2D3E17F19 (1)
Weight, g/mol:	449.91837
ΔH_f, kcal/mol:	-74.09
Dipole, Da:	4.76
IP(EA), eV:	-8.41(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=CN=C1Cl)N2CC[C@H]([C@H](C2)F)OC3=CC=C(C=C3)OC

DOS

IR

Vibrations