Geometry & MOs

Info

ID:	368666
PubChem CID:	127329739
Reduced:	SN3O3C13H23 (1)
Stoich.:	AB3C3D13E23 (1)
Weight, g/mol:	351.136511
ΔH_f, kcal/mol:	-82.26
Dipole, Da:	4.66
IP(EA), eV:	-8.66(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]sulfonylmethyl]-5-methyl-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CS(=O)(=O)N(C)CC2CCN(CC2)C

DOS

IR

Vibrations