Geometry & MOs

Info

ID:	163534
PubChem CID:	58033334
Reduced:	FNSO5H24C25 (1)
Stoich.:	ABCD5E24F25 (1)
Weight, g/mol:	557.187209
ΔH_f, kcal/mol:	-174.61
Dipole, Da:	5.24
IP(EA), eV:	-8.52(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,10-dimethoxy-2-phenylmethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-9-yl) benzenesulfonate

Drug info:

PubChemData

Smile

CC1C2C3=C(CCN2CC4=C1C=CC(=C4OS(=O)(=O)C5=CC=CC(=C5)F)OC)C=C(C=C3)O

DOS

IR

Vibrations