Geometry & MOs

Info

ID:	329457
PubChem CID:	126736949
Reduced:	N2O2C11H15 (2)
Stoich.:	A2B2C11D15 (2)
Weight, g/mol:	424.203193
ΔH_f, kcal/mol:	-70.65
Dipole, Da:	8.42
IP(EA), eV:	-7.86(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-3-(methoxymethoxy)-1-(methoxymethyl)-3-[[4-(4-methylcyclohexyl)oxypyridin-2-yl]methyl]-4-(sulfanylmethyl)azetidin-2-one

Drug info:

PubChemData

Smile

CN(CCN(C)CC(=O)NN/C=C\1/C=CC=C(C1=O)OC)CC2=CC(=CC=C2)OC

DOS

IR

Vibrations