Geometry & MOs

Info

ID:	154916
PubChem CID:	56314465
Reduced:	BrN3O3H18C21 (1)
Stoich.:	AB3C3D18E21 (1)
Weight, g/mol:	400.0171
ΔH_f, kcal/mol:	-38.68
Dipole, Da:	5.57
IP(EA), eV:	-8.83(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations