Geometry & MOs

Info

ID:	392095
PubChem CID:	135012821
Reduced:	NO3C17H23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	365.147452
ΔH_f, kcal/mol:	-100.34
Dipole, Da:	2.44
IP(EA), eV:	-9.27(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC1C=C(C(=O)N1[C@H](CO)C2=CC=CC=C2)OC

DOS

IR

Vibrations