Geometry & MOs

Info

ID:	315953
PubChem CID:	126629482
Reduced:	N2O7C30H40 (1)
Stoich.:	A2B7C30D40 (1)
Weight, g/mol:	618.294116
ΔH_f, kcal/mol:	-273.05
Dipole, Da:	4.9
IP(EA), eV:	-9.21(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(7R,8R,9S)-7,8-dibenzyl-9-methyl-2-oxooxonan-3-yl]carbamoyl]-4-methoxypyridin-3-yl]oxymethyl 2-ethoxyacetate

Drug info:

PubChemData

Smile

CCCC[C@H]1[C@@H](OC(=O)C(CCC[C@@H]1CC2=CC=CC=C2)NC(=O)C3=NC=CC(=C3OCOC(=O)C)OC)C

DOS

IR

Vibrations