Geometry & MOs

Info

ID:	154392
PubChem CID:	56313815
Reduced:	BrO2N7H16C21 (1)
Stoich.:	AB2C7D16E21 (1)
Weight, g/mol:	494.03898
ΔH_f, kcal/mol:	83.09
Dipole, Da:	3.45
IP(EA), eV:	-9.41(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br)N4C=NN=N4

DOS

IR

Vibrations