Geometry & MOs

Info

ID:	232246
PubChem CID:	87575807
Reduced:	SSeO3H6C8 (1)
Stoich.:	ABC3D6E8 (1)
Weight, g/mol:	425.155098
ΔH_f, kcal/mol:	-85.87
Dipole, Da:	5.57
IP(EA), eV:	-8.99(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1Z)-1-(5-benzyl-4,5-dimethyl-3,6-dioxopiperazin-2-ylidene)ethyl]-4-(difluoromethoxy)benzonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC2=C1C=C[Se]2)S(=O)(=O)O

DOS

IR

Vibrations