Geometry & MOs

Info

ID:	66509
PubChem CID:	46504708
Reduced:	N3O4C22H23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	518.01228
ΔH_f, kcal/mol:	-117.1
Dipole, Da:	2.87
IP(EA), eV:	-8.61(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]-N-[3-(trifluoromethyl)phenyl]propanamide

Drug info:

PubChemData

Smile

CCOC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC3=CC=CC(=C3)C(=O)C

DOS

IR

Vibrations