Geometry & MOs

Info

ID:	135601
PubChem CID:	51899575
Reduced:	NO5C24H27 (1)
Stoich.:	AB5C24D27 (1)
Weight, g/mol:	409.188923
ΔH_f, kcal/mol:	-178.29
Dipole, Da:	6.22
IP(EA), eV:	-9.14(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 4-(4-ethoxyphenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)CCC(=O)O[C@@H](C)C(=O)N2CCC3=CC=CC=C3C2

DOS

IR

Vibrations