Geometry & MOs

Info

ID:	345088
PubChem CID:	127268848
Reduced:	NS2O4C16H29 (1)
Stoich.:	AB2C4D16E29 (1)
Weight, g/mol:	376.193297
ΔH_f, kcal/mol:	-210.36
Dipole, Da:	8.19
IP(EA), eV:	-10.01(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(cyclohexylmethyl)pyrrolidin-1-yl]sulfonyl-1,3-dimethylpyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

C1CCC(CC1)CC2CCCN2S(=O)(=O)C3CCS(=O)(=O)CC3

DOS

IR

Vibrations