Geometry & MOs

Info

ID:	63587
PubChem CID:	26758691
Reduced:	SN3O6H21C24 (1)
Stoich.:	AB3C6D21E24 (1)
Weight, g/mol:	485.086841
ΔH_f, kcal/mol:	-163.71
Dipole, Da:	2.86
IP(EA), eV:	-8.66(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 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)NC4=CC=CC=C4

DOS

IR

Vibrations