Geometry & MOs

Info

ID:	132453
PubChem CID:	51363422
Reduced:	SO3N6C23H32 (1)
Stoich.:	AB3C6D23E32 (1)
Weight, g/mol:	494.21001
ΔH_f, kcal/mol:	-83.26
Dipole, Da:	8.26
IP(EA), eV:	-8.61(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C1CCCCC1)C(=O)CN2C=NC3=C(C2=O)SC(=N3)N4CCC(CC4)C(=O)NC5CC5

DOS

IR

Vibrations