Geometry & MOs

Info

ID:	334017
PubChem CID:	127252569
Reduced:	NO8H23C26 (1)
Stoich.:	AB8C23D26 (1)
Weight, g/mol:	499.210721
ΔH_f, kcal/mol:	-234.24
Dipole, Da:	5.51
IP(EA), eV:	-8.45(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-6,7-dimethoxy-2-[(2S)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

COC(=O)CC(C1=COC2=CC=CC=C2C1=O)C3=C(C=CC4=C3O/C(=C\N5CCOCC5)/C4=O)O

DOS

IR

Vibrations