Geometry & MOs

Info

ID:	38009
PubChem CID:	8026362
Reduced:	S2O3N4C15H18 (1)
Stoich.:	A2B3C4D15E18 (1)
Weight, g/mol:	366.082033
ΔH_f, kcal/mol:	-52.33
Dipole, Da:	6.29
IP(EA), eV:	-8.71(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)CSC3=NN=CN3C

DOS

IR

Vibrations