Geometry & MOs

Info

ID:	158213
PubChem CID:	56463170
Reduced:	SO2N3C20H35 (1)
Stoich.:	AB2C3D20E35 (1)
Weight, g/mol:	428.188212
ΔH_f, kcal/mol:	-108.95
Dipole, Da:	2.16
IP(EA), eV:	-8.71(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-3-oxopropyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CCC(CC)C(CNC(=O)C1=C(N=C(S1)CC(C)C)C)N2CCOCC2

DOS

IR

Vibrations