Geometry & MOs

Info

ID:	405230
PubChem CID:	135073069
Reduced:	NSO8C18H21 (1)
Stoich.:	ABC8D18E21 (1)
Weight, g/mol:	369.121237
ΔH_f, kcal/mol:	-208.62
Dipole, Da:	7.59
IP(EA), eV:	-9.72(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(8R,8aS)-2-(4-methoxyphenyl)-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl] pyridine-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)NOCCC=C=C2CC2(C(=O)OC)C(=O)OC

DOS

IR

Vibrations