Geometry & MOs

Info

ID:	63591
PubChem CID:	26758699
Reduced:	FSN2O4H21C22 (1)
Stoich.:	ABC2D4E21F22 (1)
Weight, g/mol:	478.156243
ΔH_f, kcal/mol:	-139.79
Dipole, Da:	9.08
IP(EA), eV:	-8.87(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3F

DOS

IR

Vibrations