Geometry & MOs

Info

ID:	370985
PubChem CID:	127341728
Reduced:	SO3N5C16H19 (1)
Stoich.:	AB3C5D16E19 (1)
Weight, g/mol:	347.130363
ΔH_f, kcal/mol:	-0.54
Dipole, Da:	5.87
IP(EA), eV:	-9.61(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)-4-(pyrazol-1-ylmethyl)piperidine

Drug info:

PubChemData

Smile

CC1=NOC2=C1C=C(C=N2)S(=O)(=O)N3CCC(CC3)CN4C=CC=N4

DOS

IR

Vibrations