Geometry & MOs

Info

ID:	357022
PubChem CID:	127293091
Reduced:	ON4C21H28 (1)
Stoich.:	AB4C21D28 (1)
Weight, g/mol:	390.154804
ΔH_f, kcal/mol:	-3.44
Dipole, Da:	1.36
IP(EA), eV:	-8.85(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopentylpyrrolidin-3-yl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NC3CCN(C3)C4CCCC4)C

DOS

IR

Vibrations