Geometry & MOs

Info

ID:	132813
PubChem CID:	51426469
Reduced:	ON2C10H10 (2)
Stoich.:	AB2C10D10 (2)
Weight, g/mol:	409.09283
ΔH_f, kcal/mol:	25.67
Dipole, Da:	1.12
IP(EA), eV:	-8.9(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S,4aR,6R,7S,8S,8aR)-6-(4-chlorophenoxy)-2-(furan-2-yl)-8-hydroxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide

Drug info:

PubChemData

Smile

CCCN1[C@H](C2=C(C1=O)NN=C2C3=CC(=CC=C3)OC)C4=CN=CC=C4

DOS

IR

Vibrations