Geometry & MOs

Info

ID:	26167
PubChem CID:	639787
Reduced:	NO6C15H19 (1)
Stoich.:	AB6C15D19 (1)
Weight, g/mol:	396.124274
ΔH_f, kcal/mol:	-255.73
Dipole, Da:	4.23
IP(EA), eV:	-8.9(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,4aS,6S,7R,8S,8aS)-7-acetyloxy-6-ethylsulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate

Drug info:

PubChemData

Smile

CCOC1=CCC(=CC1)NC(=O)C2=C(OC(OC2=O)(C)C)O

DOS

IR

Vibrations