Geometry & MOs

Info

ID:	54246
PubChem CID:	16956765
Reduced:	FNS3O4H12C15 (1)
Stoich.:	ABC3D4E12F15 (1)
Weight, g/mol:	387.0599
ΔH_f, kcal/mol:	-127.27
Dipole, Da:	5.29
IP(EA), eV:	-9.25(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(2,3-dihydroindol-1-ylsulfonyl)-1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C2=C(C=CC=C2S1)F)S(=O)(=O)NCC3=CC=CS3

DOS

IR

Vibrations