Geometry & MOs

Info

ID:	245310
PubChem CID:	99443278
Reduced:	SN4O6C22H34 (1)
Stoich.:	AB4C6D22E34 (1)
Weight, g/mol:	405.960013
ΔH_f, kcal/mol:	-265.48
Dipole, Da:	9.4
IP(EA), eV:	-9.21(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-8-[(2,4-dichlorophenyl)methylsulfonylmethyl]-4H-1,3-benzodioxine

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CN1CCN(CC1)C(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC

DOS

IR

Vibrations