Geometry & MOs

Info

ID:	137355
PubChem CID:	52196091
Reduced:	FSN2O3C17H25 (1)
Stoich.:	ABC2D3E17F25 (1)
Weight, g/mol:	410.108248
ΔH_f, kcal/mol:	-194.29
Dipole, Da:	3.2
IP(EA), eV:	-8.96(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (6S)-6-methyl-2-[[2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

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C[C@H](C(=O)NCCSCC1=CC=CC=C1F)NC(=O)OC(C)(C)C

DOS

IR

Vibrations