Geometry & MOs

Info

ID:	140479
PubChem CID:	52705835
Reduced:	N3O3C25H41 (1)
Stoich.:	A3B3C25D41 (1)
Weight, g/mol:	441.061712
ΔH_f, kcal/mol:	-143.66
Dipole, Da:	5.72
IP(EA), eV:	-8.51(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-fluorophenoxy)phenyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide

Drug info:

PubChemData

Smile

CC(C)[C@H](C1=CC2=C(C=C1)OCCCO2)NC(=O)CN3CCN(CC3)CCC(C)(C)C

DOS

IR

Vibrations