Geometry & MOs

Info

ID:	127794
PubChem CID:	51015805
Reduced:	ClNO7C26H40 (1)
Stoich.:	ABC7D26E40 (1)
Weight, g/mol:	251.109233
ΔH_f, kcal/mol:	-62.81
Dipole, Da:	4.31
IP(EA), eV:	-8.45(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

CCN1C[C@]2(CC[C@H]([C@]34[C@H]2[C@H]([C@H]([C@H]31)[C@@]5(C[C@H]([C@@H]6C[C@H]4[C@H]5[C@@H]6O)OC)O)OC)OC(=O)CCl)COC

DOS

IR

Vibrations