Geometry & MOs

Info

ID:	153950
PubChem CID:	56313305
Reduced:	BrO3N5H16C22 (1)
Stoich.:	AB3C5D16E22 (1)
Weight, g/mol:	467.06447
ΔH_f, kcal/mol:	34.58
Dipole, Da:	2.83
IP(EA), eV:	-9.37(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]benzamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations