Geometry & MOs

Info

ID:	427305
PubChem CID:	135156801
Reduced:	ClFN6O9H26C28 (1)
Stoich.:	ABC6D9E26F28 (1)
Weight, g/mol:	255.109314
ΔH_f, kcal/mol:	-309.2
Dipole, Da:	7.35
IP(EA), eV:	-9.06(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpropane-2-sulfinamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)CC(C(=O)O)(C(=O)O)OC[C@@H]3[C@H]([C@@H]([C@@H](O3)N4C=NC5=C(N=C(N=C54)Cl)N)F)O

DOS

IR

Vibrations