Geometry & MOs

Info

ID:	153347
PubChem CID:	56312532
Reduced:	BrSO2N4C21H21 (1)
Stoich.:	ABC2D4E21F21 (1)
Weight, g/mol:	403.08954
ΔH_f, kcal/mol:	-13.84
Dipole, Da:	4.52
IP(EA), eV:	-9.2(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-(3-methylhexanoylamino)benzamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C(C)(C)C)C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations