Geometry & MOs

Info

ID:	29072
PubChem CID:	831440
Reduced:	NOC17H23 (1)
Stoich.:	ABC17D23 (1)
Weight, g/mol:	287.977856
ΔH_f, kcal/mol:	-41.02
Dipole, Da:	3.54
IP(EA), eV:	-9.45(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 3,6-dichloro-1-benzothiophene-2-carboxylate

Drug info:

PubChemData

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C[C@@]12CC[C@@H](C1(C)C)C[C@@H]2NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations