Geometry & MOs

Info

ID:	420044
PubChem CID:	135110864
Reduced:	SN3O4C13H19 (1)
Stoich.:	AB3C4D13E19 (1)
Weight, g/mol:	377.210327
ΔH_f, kcal/mol:	-144.84
Dipole, Da:	5.78
IP(EA), eV:	-9.88(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methylpyridin-2-yl)-[(1S,5R)-9-[(E)-3-phenylprop-2-enyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone

Drug info:

PubChemData

Smile

CS(=O)(=O)NCC(=O)N1C[C@H]([C@@H](C1)O)CC2=CC=NC=C2

DOS

IR

Vibrations