Geometry & MOs

Info

ID:	151590
PubChem CID:	55161559
Reduced:	NSO3C14H21 (1)
Stoich.:	ABC3D14E21 (1)
Weight, g/mol:	294.045443
ΔH_f, kcal/mol:	-130.18
Dipole, Da:	4.93
IP(EA), eV:	-9.35(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-methyl-6-[(1-methylimidazol-2-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidine

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)S(=O)(=O)N2CCCC2(C)C)O

DOS

IR

Vibrations