Geometry & MOs

Info

ID:	65927
PubChem CID:	46391358
Reduced:	SO3N6C24H28 (1)
Stoich.:	AB3C6D24E28 (1)
Weight, g/mol:	484.169288
ΔH_f, kcal/mol:	-53.37
Dipole, Da:	4.32
IP(EA), eV:	-8.97(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)CN2C=NC3=C(C2=O)SC(=N3)N4CCCC(C4)C(=O)NC5CC5

DOS

IR

Vibrations