Geometry & MOs

Info

ID:	63598
PubChem CID:	26758720
Reduced:	SF2N2O5H20C24 (1)
Stoich.:	AB2C2D5E20F24 (1)
Weight, g/mol:	470.187543
ΔH_f, kcal/mol:	-218.4
Dipole, Da:	4.25
IP(EA), eV:	-8.79(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=C(C=CC=C1F)F)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C43

DOS

IR

Vibrations