Geometry & MOs

Info

ID:	188185
PubChem CID:	77679980
Reduced:	N2O5C20H28 (1)
Stoich.:	A2B5C20D28 (1)
Weight, g/mol:	405.143236
ΔH_f, kcal/mol:	-240.16
Dipole, Da:	0.58
IP(EA), eV:	-9.52(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6,6-dimethyl-9-oxo-2,3,4,4a,5,7,8,9a-octahydro-1H-thioxanthen-3-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1C(C(C(C(=O)N1)CNC(=O)OC(C)(C)C)C2=CC=C(C=C2)C)C(=O)O

DOS

IR

Vibrations