Geometry & MOs

Info

ID:	344870
PubChem CID:	127268630
Reduced:	SO3N5C16H19 (1)
Stoich.:	AB3C5D16E19 (1)
Weight, g/mol:	350.093643
ΔH_f, kcal/mol:	-8.02
Dipole, Da:	2.95
IP(EA), eV:	-9.44(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)pyrrolidin-2-yl]-3-methyl-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C2CCCN2S(=O)(=O)C3=CC4=C(N=C3)N(N=C4C)C

DOS

IR

Vibrations