Geometry & MOs

Info

ID:	71677
PubChem CID:	48415189
Reduced:	SN3O3C22H31 (1)
Stoich.:	AB3C3D22E31 (1)
Weight, g/mol:	353.210327
ΔH_f, kcal/mol:	-67.98
Dipole, Da:	8.77
IP(EA), eV:	-8.88(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-but-3-ynylpiperazine-1-carbonyl)-1-(2-phenylethyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)CCC#C)C

DOS

IR

Vibrations