Geometry & MOs

Info

ID:	218352
PubChem CID:	85089215
Reduced:	SO2N7C22H29 (1)
Stoich.:	AB2C7D22E29 (1)
Weight, g/mol:	451.235873
ΔH_f, kcal/mol:	8.13
Dipole, Da:	3.24
IP(EA), eV:	-8.62(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(1-hydroxypropan-2-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-naphthalen-1-yloxypropan-2-ol

Drug info:

PubChemData

Smile

CC1CC(NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCOCC5

DOS

IR

Vibrations