Geometry & MOs

Info

ID:	134512
PubChem CID:	51708656
Reduced:	N2O5C25H36 (1)
Stoich.:	A2B5C25D36 (1)
Weight, g/mol:	444.262422
ΔH_f, kcal/mol:	-235.26
Dipole, Da:	5.21
IP(EA), eV:	-9.6(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzoate

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)C2=CC=C(C=C2)OCC(=O)N3[C@@H](CCC[C@@H]3C)C

DOS

IR

Vibrations