Geometry & MOs

Info

ID:	306713
PubChem CID:	125235747
Reduced:	SN2O3C19H28 (1)
Stoich.:	AB2C3D19E28 (1)
Weight, g/mol:	331.189592
ΔH_f, kcal/mol:	-85.17
Dipole, Da:	2.58
IP(EA), eV:	-8.48(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S,3aS,6aS)-5-(pyridin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-1-(oxazinan-2-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(S1)CN2CC[C@H]3[C@@H](C2)[C@H](CCO3)C(=O)N4CCCCO4

DOS

IR

Vibrations