Geometry & MOs

Info

ID:	65363
PubChem CID:	29214794
Reduced:	SN2O4C17H24 (1)
Stoich.:	AB2C4D17E24 (1)
Weight, g/mol:	365.100954
ΔH_f, kcal/mol:	-172.21
Dipole, Da:	5.45
IP(EA), eV:	-8.97(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,2-difluoro-1,3-benzodioxol-4-yl)-5-[(3R)-thiolan-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1NC(=O)CCC(=O)N2CCS(=O)(=O)CC2

DOS

IR

Vibrations