Geometry & MOs

Info

ID:	68912
PubChem CID:	46511716
Reduced:	O2F3N3C20H24 (1)
Stoich.:	A2B3C3D20E24 (1)
Weight, g/mol:	382.109962
ΔH_f, kcal/mol:	-194.74
Dipole, Da:	6.62
IP(EA), eV:	-9.4(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)N3CCCC(C3)C(F)(F)F

DOS

IR

Vibrations