Geometry & MOs

Info

ID:	275619
PubChem CID:	103816781
Reduced:	NSO2C17H19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	349.01137
ΔH_f, kcal/mol:	-60.89
Dipole, Da:	5.08
IP(EA), eV:	-9.27(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-fluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide

Drug info:

PubChemData

Smile

CCC1=C(SC(=C1)C(=O)N[C@@H]2[C@@H](CC3=CC=CC=C23)O)C

DOS

IR

Vibrations