Geometry & MOs

Info

ID:	125497
PubChem CID:	50926817
Reduced:	SO4N6C24H26 (1)
Stoich.:	AB4C6D24E26 (1)
Weight, g/mol:	470.153638
ΔH_f, kcal/mol:	-79.63
Dipole, Da:	3.46
IP(EA), eV:	-9.23(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-1-[6-[2-(3-fluoroanilino)-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations