Geometry & MOs

Info

ID:	172610
PubChem CID:	75529728
Reduced:	SO3N4C19H30 (1)
Stoich.:	AB3C4D19E30 (1)
Weight, g/mol:	380.090289
ΔH_f, kcal/mol:	-113.25
Dipole, Da:	4.98
IP(EA), eV:	-8.82(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[(3S,3aR,6R,6aS)-3-(5-pyrimidin-2-ylsulfanyltetrazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetate

Drug info:

PubChemData

Smile

CN1C[C@@H](CCC[C@H](CC1=O)C(=O)NC2CCOCC2)NCC3=NC=CS3

DOS

IR

Vibrations