Geometry & MOs

Info

ID:	153735
PubChem CID:	56313046
Reduced:	BrO3N4C23H23 (1)
Stoich.:	AB3C4D23E23 (1)
Weight, g/mol:	462.03275
ΔH_f, kcal/mol:	-70.23
Dipole, Da:	6.81
IP(EA), eV:	-9.2(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-3-phenyl-1,2-oxazole-5-carboxamide

Drug info:

PubChemData

Smile

CCCC1=C(NC(=C1C(=O)C)C)C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations