Geometry & MOs

Info

ID:	68147
PubChem CID:	46507834
Reduced:	O2N3H17C18 (1)
Stoich.:	A2B3C17D18 (1)
Weight, g/mol:	475.151196
ΔH_f, kcal/mol:	-29.39
Dipole, Da:	1.29
IP(EA), eV:	-8.87(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-fluoro-4-methylphenyl)-2-[(7-oxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)CN2C3=CC=CC=C3N=C(C2=O)C

DOS

IR

Vibrations