Geometry & MOs

Info

ID:	71322
PubChem CID:	48414623
Reduced:	SN3O3C20H23 (1)
Stoich.:	AB3C3D20E23 (1)
Weight, g/mol:	361.146013
ΔH_f, kcal/mol:	1.91
Dipole, Da:	4.42
IP(EA), eV:	-8.63(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=NC(=CS2)C(=O)N3CCN(CC3)CCC#C)OC

DOS

IR

Vibrations