Geometry & MOs

Info

ID:	339467
PubChem CID:	127261400
Reduced:	Cl2N3C18H23 (1)
Stoich.:	A2B3C18D23 (1)
Weight, g/mol:	363.131802
ΔH_f, kcal/mol:	3.62
Dipole, Da:	5.95
IP(EA), eV:	-8.14(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R,4aR,6R,7R,8R,8aS)-8-cyano-7-hydroxy-6-methoxy-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine-8-carboxylate

Drug info:

PubChemData

Smile

CN1CCN=C(C2=C1C=CC(=C2)N(C)C)C3=CC=CC=C3.Cl.Cl

DOS

IR

Vibrations