Geometry & MOs

Info

ID:	125499
PubChem CID:	50926819
Reduced:	SO3N6C20H28 (1)
Stoich.:	AB3C6D20E28 (1)
Weight, g/mol:	496.189275
ΔH_f, kcal/mol:	-91.89
Dipole, Da:	6.33
IP(EA), eV:	-8.89(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CN1C=NC2=C(C1=O)SC(=N2)N3CCC(CC3)C(=O)NC4CC4

DOS

IR

Vibrations