Geometry & MOs

Info

ID:	334913
PubChem CID:	127253719
Reduced:	NO5H21C27 (1)
Stoich.:	AB5C21D27 (1)
Weight, g/mol:	440.176979
ΔH_f, kcal/mol:	-88.83
Dipole, Da:	5.76
IP(EA), eV:	-8.23(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfanyl-1-oxobutan-2-yl]-3H-isoindol-1-one

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CC5CC6=CC=CC=C6O5)OC

DOS

IR

Vibrations