Geometry & MOs

Info

ID:	275617
PubChem CID:	103816779
Reduced:	NSCl2O2H11C14 (1)
Stoich.:	ABC2D2E11F14 (1)
Weight, g/mol:	247.157229
ΔH_f, kcal/mol:	-36.85
Dipole, Da:	3.66
IP(EA), eV:	-9.45(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@H]([C@H](C2=CC=CC=C21)NC(=O)C3=C(SC(=C3)Cl)Cl)O

DOS

IR

Vibrations