Geometry & MOs

Info

ID:	349753
PubChem CID:	127275915
Reduced:	NSO2C7H8 (2)
Stoich.:	ABC2D7E8 (2)
Weight, g/mol:	375.161663
ΔH_f, kcal/mol:	-103.38
Dipole, Da:	5.4
IP(EA), eV:	-9.07(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C(C)NS(=O)(=O)C2=CC=CC3=C2OCCO3

DOS

IR

Vibrations