Geometry & MOs

Info

ID:	392773
PubChem CID:	135017906
Reduced:	NO6C14H17 (1)
Stoich.:	AB6C14D17 (1)
Weight, g/mol:	446.172939
ΔH_f, kcal/mol:	-187.81
Dipole, Da:	4.38
IP(EA), eV:	-10.0(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,7R,8S,8aR)-2-phenyl-7,8-bis(phenylmethoxy)-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-one

Drug info:

PubChemData

Smile

COC(=O)C1(CC(=O)N(C1OCC#C)CC=C)C(=O)OC

DOS

IR

Vibrations