Geometry & MOs

Info

ID:	306714
PubChem CID:	125235755
Reduced:	N3O3C18H25 (1)
Stoich.:	A3B3C18D25 (1)
Weight, g/mol:	318.124943
ΔH_f, kcal/mol:	-69.92
Dipole, Da:	3.72
IP(EA), eV:	-9.08(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3aR,7S,7aR)-2-methylsulfonyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-(1,2-oxazolidin-2-yl)ethanone

Drug info:

PubChemData

Smile

C1CCON(C1)C(=O)C[C@@H]2CO[C@H]3[C@@H]2CN(C3)CC4=CC=NC=C4

DOS

IR

Vibrations