Geometry & MOs

Info

ID:	123093
PubChem CID:	50832820
Reduced:	BrFO3N4H18C19 (1)
Stoich.:	ABC3D4E18F19 (1)
Weight, g/mol:	448.05463
ΔH_f, kcal/mol:	-117.14
Dipole, Da:	2.2
IP(EA), eV:	-9.13(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromophenyl)-4-[2-(3-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(C(=O)CN1C(=O)NC2=CC=C(C=C2)Br)CC(=O)NC3=CC=CC=C3F

DOS

IR

Vibrations