Geometry & MOs

Info

ID:	70358
PubChem CID:	48413239
Reduced:	ClSN2O2F3C15H16 (1)
Stoich.:	ABC2D2E3F15G16 (1)
Weight, g/mol:	411.128649
ΔH_f, kcal/mol:	-164.65
Dipole, Da:	4.06
IP(EA), eV:	-9.06(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-but-3-ynyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)Cl)C(F)(F)F

DOS

IR

Vibrations