Geometry & MOs

Info

ID:	133905
PubChem CID:	51612520
Reduced:	NO5C21H31 (1)
Stoich.:	AB5C21D31 (1)
Weight, g/mol:	377.220223
ΔH_f, kcal/mol:	-228.24
Dipole, Da:	6.56
IP(EA), eV:	-8.85(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-ethoxy-4-propoxybenzoate

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C(=O)O[C@@H](C)C(=O)NC2CCCCC2)OCC

DOS

IR

Vibrations