Geometry & MOs

Info

ID:	155803
PubChem CID:	56367622
Reduced:	BrClO2N4H18C20 (1)
Stoich.:	ABC2D4E18F20 (1)
Weight, g/mol:	390.05791
ΔH_f, kcal/mol:	-9.84
Dipole, Da:	7.01
IP(EA), eV:	-8.76(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetamido-5-bromophenyl)-4-phenoxybutanamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C(=O)NC2=C(C=CC(=C2)Br)NC(=O)C)Cl)CC3=CC=CC=C3

DOS

IR

Vibrations