Geometry & MOs

Info

ID:	63597
PubChem CID:	26758714
Reduced:	ClSN3O5H20C23 (1)
Stoich.:	ABC3D5E20F23 (1)
Weight, g/mol:	486.106099
ΔH_f, kcal/mol:	-125.92
Dipole, Da:	3.25
IP(EA), eV:	-8.72(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=C(N=CC=C1)Cl)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C43

DOS

IR

Vibrations