Geometry & MOs

Info

ID:	418585
PubChem CID:	135105921
Reduced:	OSN3C12H21 (1)
Stoich.:	ABC3D12E21 (1)
Weight, g/mol:	307.135448
ΔH_f, kcal/mol:	-35.88
Dipole, Da:	3.82
IP(EA), eV:	-8.64(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CCSCC(=O)N(C)CCCC1=NC=CN1C

DOS

IR

Vibrations