Geometry & MOs

Info

ID:	228593
PubChem CID:	87565376
Reduced:	ClSH2N2C3F3 (1)
Stoich.:	ABC2D2E3F3 (1)
Weight, g/mol:	439.174336
ΔH_f, kcal/mol:	-103.49
Dipole, Da:	3.18
IP(EA), eV:	-9.06(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-1,3-dimethyl-6-[(2-nitrophenyl)methyl]-1,4-dioxido-4-prop-2-enylpiperazine-1,4-diium-2,5-dione

Drug info:

PubChemData

Smile

C1=C(SN(N1)Cl)C(F)(F)F

DOS

IR

Vibrations