Geometry & MOs

Info

ID:	419762
PubChem CID:	135108979
Reduced:	SN2O3C15H24 (1)
Stoich.:	AB2C3D15E24 (1)
Weight, g/mol:	301.038482
ΔH_f, kcal/mol:	-128.66
Dipole, Da:	1.27
IP(EA), eV:	-9.23(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CN2CCC3(CC2)[C@H]([C@](CCO3)(C)O)O

DOS

IR

Vibrations