Geometry & MOs

Info

ID:	59678
PubChem CID:	24893207
Reduced:	NO4C22H23 (1)
Stoich.:	AB4C22D23 (1)
Weight, g/mol:	470.278072
ΔH_f, kcal/mol:	-109.15
Dipole, Da:	5.87
IP(EA), eV:	-9.44(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-[[(2S)-2-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]pent-4-enoyl]amino]propyl] hept-6-enoate

Drug info:

PubChemData

Smile

CC[C@@H](CNC(=O)[C@@H](C)OC(=O)C1=CC2=CC=CC=C2O1)C3=CC=CC=C3

DOS

IR

Vibrations