Geometry & MOs

Info

ID:	368188
PubChem CID:	127327739
Reduced:	SO2N5C13H19 (1)
Stoich.:	AB2C5D13E19 (1)
Weight, g/mol:	333.114713
ΔH_f, kcal/mol:	-14.17
Dipole, Da:	6.9
IP(EA), eV:	-8.98(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)pyrrolidin-3-yl]-1-methylpyrazole

Drug info:

PubChemData

Smile

CC1=NC(=CN1C)S(=O)(=O)N2CCC(C2)C3=CN(N=C3)C

DOS

IR

Vibrations