Geometry & MOs

Info

ID:	299639
PubChem CID:	117688244
Reduced:	SN5O9C29H33 (1)
Stoich.:	AB5C9D29E33 (1)
Weight, g/mol:	476.202131
ΔH_f, kcal/mol:	-258.08
Dipole, Da:	4.51
IP(EA), eV:	-8.64(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[3-[(4-cyclopropylphenoxy)methyl]phenyl]-3,5-dimethylphenoxy]thiane 1,1-dioxide

Drug info:

PubChemData

Smile

C1CC(N(C1)OC(=O)OCC2=CC=CC=C2)(CNC3=CC=CC=N3)OCC(=O)NCC(C(=O)O)NS(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations