Geometry & MOs

Info

ID:	203595
PubChem CID:	79850088
Reduced:	SN3O3C13H21 (1)
Stoich.:	AB3C3D13E21 (1)
Weight, g/mol:	317.071324
ΔH_f, kcal/mol:	-110.0
Dipole, Da:	7.33
IP(EA), eV:	-8.16(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chloro-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-N-methyl-2-methylsulfonylethanamine

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=C(C=C(C=C1)N)N(C)CCS(=O)(=O)C

DOS

IR

Vibrations