Geometry & MOs

Info

ID:	382326
PubChem CID:	134973406
Reduced:	NO9C12H21 (1)
Stoich.:	AB9C12D21 (1)
Weight, g/mol:	370.141638
ΔH_f, kcal/mol:	-420.95
Dipole, Da:	4.85
IP(EA), eV:	-10.1(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R,8S,8aR)-6-methoxy-2-phenyl-8-phenylmethoxy-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-one

Drug info:

PubChemData

Smile

CC(=O)NC[C@@H]1[C@@H](C[C@](OC1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O

DOS

IR

Vibrations