Geometry & MOs

Info

ID:	68149
PubChem CID:	46507838
Reduced:	S2O3N6C19H24 (1)
Stoich.:	A2B3C6D19E24 (1)
Weight, g/mol:	477.132689
ΔH_f, kcal/mol:	-38.57
Dipole, Da:	7.33
IP(EA), eV:	-8.49(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(4-methylpiperidin-1-yl)-7-oxo-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=C(N=C(S2)N3CCCCC3)N=C1SCC(=O)NC4=NOC(=C4)C

DOS

IR

Vibrations