Geometry & MOs

Info

ID:	414835
PubChem CID:	135087807
Reduced:	O5N8C30H40 (1)
Stoich.:	A5B8C30D40 (1)
Weight, g/mol:	266.108899
ΔH_f, kcal/mol:	-136.27
Dipole, Da:	3.03
IP(EA), eV:	-9.42(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[(5-methylthiophen-2-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCN(CC2=CN(CCCOC3=C(C=CC(=C3)C)C(=O)N1)N=N2)C(=O)CCN4C(=C(C(=N4)C)C(=O)C)C

DOS

IR

Vibrations