Geometry & MOs

Info

ID:	163533
PubChem CID:	58033310
Reduced:	NSO8C32H33 (1)
Stoich.:	ABC8D32E33 (1)
Weight, g/mol:	469.135922
ΔH_f, kcal/mol:	-232.58
Dipole, Da:	10.24
IP(EA), eV:	-7.95(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxy-10-methoxy-13-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-9-yl) 3-fluorobenzenesulfonate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCNC(=O)CC2=C(C(=C(C=C2)OC)OS(=O)(=O)C3=CC=CC=C3)CO)OCC4=CC=CC=C4

DOS

IR

Vibrations