Geometry & MOs

Info

ID:	148732
PubChem CID:	53788401
Reduced:	N4O4C13H18 (1)
Stoich.:	A4B4C13D18 (1)
Weight, g/mol:	284.071845
ΔH_f, kcal/mol:	-130.6
Dipole, Da:	6.14
IP(EA), eV:	-8.51(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,6S,7R,8R,8aR)-2-phenyl-6-sulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol

Drug info:

PubChemData

Smile

CN(CC(=O)OC)C(=NC(=O)NC1=CC(=CC=C1)OC)N

DOS

IR

Vibrations