Geometry & MOs

Info

ID:	135600
PubChem CID:	51899574
Reduced:	NCl2O5C21H21 (1)
Stoich.:	AB2C5D21E21 (1)
Weight, g/mol:	409.188923
ΔH_f, kcal/mol:	-195.25
Dipole, Da:	6.76
IP(EA), eV:	-9.19(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-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)NC2=C(C=CC(=C2)Cl)Cl

DOS

IR

Vibrations