Geometry & MOs

Info

ID:	360779
PubChem CID:	127301424
Reduced:	S2N3O3C17H19 (1)
Stoich.:	A2B3C3D17E19 (1)
Weight, g/mol:	364.109293
ΔH_f, kcal/mol:	-32.29
Dipole, Da:	4.89
IP(EA), eV:	-9.25(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]sulfonylmethyl]-3-methyl-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CS(=O)(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations