Geometry & MOs

Info

ID:	185538
PubChem CID:	77311866
Reduced:	ClN5O5H20C22 (1)
Stoich.:	AB5C5D20E22 (1)
Weight, g/mol:	558.05144
ΔH_f, kcal/mol:	-114.23
Dipole, Da:	5.48
IP(EA), eV:	-8.55(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-bromo-2-(5-oxo-1,2,4-oxadiazolidin-3-yl)phenyl]-1-methyl-7-[2-(trifluoromethyl)phenyl]indole-2-carboxamide

Drug info:

PubChemData

Smile

C1COCC1C(=O)NC2=CC=CC3=C2NC(=C3)C(=O)NC4=C(C=C(C=C4)Cl)C5NC(=O)ON5

DOS

IR

Vibrations