Geometry & MOs

Info

ID:	80473
PubChem CID:	49834633
Reduced:	SO2N5H21C22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	411.140533
ΔH_f, kcal/mol:	40.86
Dipole, Da:	2.85
IP(EA), eV:	-8.62(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1H-indol-6-yl]oxy]-1,3-benzothiazole

Drug info:

PubChemData

Smile

CC(=O)N1C[C@@H]2C[C@@H]1CN2CC3=CNC4=C3C=CC(=C4)OC5=NC6=C(S5)C=CC=N6

DOS

IR

Vibrations