Geometry & MOs

Info

ID:	175696
PubChem CID:	75938351
Reduced:	ClO3N4C25H31 (1)
Stoich.:	AB3C4D25E31 (1)
Weight, g/mol:	441.147075
ΔH_f, kcal/mol:	-100.36
Dipole, Da:	4.92
IP(EA), eV:	-8.55(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[4-[6-(furan-2-yl)-2-oxo-3H-pyridine-3-carbonyl]piperazin-1-yl]methyl]-6,7,8,8a-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NCC(=O)N1CCN(CC1)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations