Geometry & MOs

Info

ID:	132456
PubChem CID:	51363425
Reduced:	SO4N6C24H28 (1)
Stoich.:	AB4C6D24E28 (1)
Weight, g/mol:	496.152889
ΔH_f, kcal/mol:	-83.89
Dipole, Da:	6.44
IP(EA), eV:	-8.78(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-cyclopropylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNC(=O)CN2C=NC3=C(C2=O)SC(=N3)N4CCC(CC4)C(=O)NC5CC5

DOS

IR

Vibrations