Geometry & MOs

Info

ID:	353413
PubChem CID:	127284789
Reduced:	SN3O3C18H27 (1)
Stoich.:	AB3C3D18E27 (1)
Weight, g/mol:	332.196074
ΔH_f, kcal/mol:	-110.79
Dipole, Da:	6.57
IP(EA), eV:	-8.78(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetamide

Drug info:

PubChemData

Smile

CN(CCNC(=O)C1=CC(=CC=C1)N2CCCS2(=O)=O)C3CCCC3

DOS

IR

Vibrations