Geometry & MOs

Info

ID:	155617
PubChem CID:	56366322
Reduced:	BrO2N5H16C18 (1)
Stoich.:	AB2C5D16E18 (1)
Weight, g/mol:	461.01418
ΔH_f, kcal/mol:	9.93
Dipole, Da:	8.29
IP(EA), eV:	-8.77(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetamido-5-bromophenyl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=CC=N2)C(=O)NC3=C(C=CC(=C3)Br)NC(=O)C

DOS

IR

Vibrations