Geometry & MOs

Info

ID:	174756
PubChem CID:	75811140
Reduced:	ClSN2O4C17H23 (1)
Stoich.:	ABC2D4E17F23 (1)
Weight, g/mol:	408.227374
ΔH_f, kcal/mol:	-152.47
Dipole, Da:	4.53
IP(EA), eV:	-9.48(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)N2CCOC3C2CCCC3)Cl

DOS

IR

Vibrations