Geometry & MOs

Info

ID:	63588
PubChem CID:	26758692
Reduced:	SF3N3O6H18C20 (1)
Stoich.:	AB3C3D6E18F20 (1)
Weight, g/mol:	484.085971
ΔH_f, kcal/mol:	-355.26
Dipole, Da:	2.37
IP(EA), eV:	-8.71(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)NC(=O)NCC(F)(F)F

DOS

IR

Vibrations