Geometry & MOs

Info

ID:	426967
PubChem CID:	135154756
Reduced:	ClO2N3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	582.222215
ΔH_f, kcal/mol:	-29.64
Dipole, Da:	4.24
IP(EA), eV:	-8.89(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,7-bis(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)fluoren-9-one

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1N2CCC(CC2)OC3=CC4=C(COC4)C=C3)Cl

DOS

IR

Vibrations