Geometry & MOs

Info

ID:	70349
PubChem CID:	48413224
Reduced:	SN4O4C14H20 (1)
Stoich.:	AB4C4D14E20 (1)
Weight, g/mol:	361.146013
ΔH_f, kcal/mol:	-99.59
Dipole, Da:	5.62
IP(EA), eV:	-8.82(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-but-3-ynylpiperazin-1-yl)sulfonylphenyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CN1C=C(C(=O)N(C1=O)C)S(=O)(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations