Geometry & MOs

Info

ID:	134511
PubChem CID:	51708499
Reduced:	NSO5C29H33 (1)
Stoich.:	ABC5D29E33 (1)
Weight, g/mol:	444.262422
ΔH_f, kcal/mol:	-181.23
Dipole, Da:	4.97
IP(EA), eV:	-8.83(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=C([C@H](C2=C(N1)C[C@H]([C@@H](C2=O)C(=O)OCC)C3=CC=CS3)C4=CC=C(C=C4)C)C(=O)OCC

DOS

IR

Vibrations