Geometry & MOs

Info

ID:	155660
PubChem CID:	56366711
Reduced:	BrO2F3N3H13C16 (1)
Stoich.:	AB2C3D3E13F16 (1)
Weight, g/mol:	417.04882
ΔH_f, kcal/mol:	-195.66
Dipole, Da:	8.4
IP(EA), eV:	-9.36(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetamido-5-bromophenyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)C(F)(F)F)C(=O)NC2=C(C=CC(=C2)Br)NC(=O)C

DOS

IR

Vibrations