Geometry & MOs

Info

ID:	154804
PubChem CID:	56314329
Reduced:	BrSO2N4H13C17 (1)
Stoich.:	ABC2D4E13F17 (1)
Weight, g/mol:	490.06405
ΔH_f, kcal/mol:	16.31
Dipole, Da:	3.46
IP(EA), eV:	-9.32(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations