Geometry & MOs

Info

ID:	351457
PubChem CID:	127280345
Reduced:	SO2N6C18H22 (1)
Stoich.:	AB2C6D18E22 (1)
Weight, g/mol:	382.203862
ΔH_f, kcal/mol:	5.44
Dipole, Da:	6.77
IP(EA), eV:	-9.07(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-(2-pyrrolidin-1-ylacetyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]butan-1-one

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)C3=CSC(=N3)C4=NC=CN=C4

DOS

IR

Vibrations