Geometry & MOs

Info

ID:	123111
PubChem CID:	50833645
Reduced:	ClFSO3N5C19H19 (1)
Stoich.:	ABCD3E5F19G19 (1)
Weight, g/mol:	473.189689
ΔH_f, kcal/mol:	-135.57
Dipole, Da:	8.93
IP(EA), eV:	-8.93(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=O)C2=C(N=C(S2)N3CCCC3)N(C1=O)CC(=O)NC4=C(C=C(C=C4)F)Cl

DOS

IR

Vibrations