Geometry & MOs

Info

ID:	132452
PubChem CID:	51363421
Reduced:	SO3N6C23H26 (1)
Stoich.:	AB3C6D23E26 (1)
Weight, g/mol:	472.22566
ΔH_f, kcal/mol:	-35.36
Dipole, Da:	6.83
IP(EA), eV:	-8.83(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations