Geometry & MOs

Info

ID:	306715
PubChem CID:	125235758
Reduced:	SN2O5C13H22 (1)
Stoich.:	AB2C5D13E22 (1)
Weight, g/mol:	324.204907
ΔH_f, kcal/mol:	-182.89
Dipole, Da:	4.24
IP(EA), eV:	-9.55(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)N1C[C@@H]2COC[C@H]([C@H]2C1)CC(=O)N3CCCO3

DOS

IR

Vibrations