Geometry & MOs

Info

ID:	275649
PubChem CID:	103816888
Reduced:	INSO2H12C14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	300.093249
ΔH_f, kcal/mol:	-16.08
Dipole, Da:	3.04
IP(EA), eV:	-9.3(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-pyridin-4-ylsulfanylacetamide

Drug info:

PubChemData

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C1[C@@H]([C@@H](C2=CC=CC=C21)NC(=O)C3=CSC(=C3)I)O

DOS

IR

Vibrations