Geometry & MOs

Info

ID:	238000
PubChem CID:	92728767
Reduced:	S2N3O3C19H19 (1)
Stoich.:	A2B3C3D19E19 (1)
Weight, g/mol:	387.071134
ΔH_f, kcal/mol:	10.83
Dipole, Da:	5.66
IP(EA), eV:	-9.28(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropyl-3-[5-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]thiophen-3-yl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1C[C@H](C2=CC=CC=C2C1)NS(=O)(=O)C3=CC(=CS3)C4=NOC(=N4)C5CC5

DOS

IR

Vibrations