Geometry & MOs

Info

ID:	132451
PubChem CID:	51363134
Reduced:	ON2C22H28 (1)
Stoich.:	AB2C22D28 (1)
Weight, g/mol:	466.17871
ΔH_f, kcal/mol:	-14.18
Dipole, Da:	2.14
IP(EA), eV:	-8.53(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)CN2CCN(CC2)C3=CC=CC(=C3C)C)C

DOS

IR

Vibrations