Geometry & MOs

Info

ID:	153733
PubChem CID:	56313044
Reduced:	FN2O2C23H27 (1)
Stoich.:	AB2C2D23E27 (1)
Weight, g/mol:	455.06447
ΔH_f, kcal/mol:	-108.94
Dipole, Da:	6.93
IP(EA), eV:	-9.43(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CCNC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3

DOS

IR

Vibrations