Geometry & MOs

Info

ID:	362727
PubChem CID:	127309272
Reduced:	SO2N6C14H20 (1)
Stoich.:	AB2C6D14E20 (1)
Weight, g/mol:	281.119798
ΔH_f, kcal/mol:	14.65
Dipole, Da:	4.24
IP(EA), eV:	-9.29(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-N-[2-(1,3-thiazol-2-yl)ethyl]-8-azabicyclo[3.2.1]octane-8-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)NCC3=CSC=N3

DOS

IR

Vibrations