Geometry & MOs

Info

ID:	194596
PubChem CID:	78559356
Reduced:	OSN6C15H16 (1)
Stoich.:	ABC6D15E16 (1)
Weight, g/mol:	407.01685
ΔH_f, kcal/mol:	102.8
Dipole, Da:	6.12
IP(EA), eV:	-9.52(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-bromophenyl)-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N2C(=NN=N2)SCC(=O)C(C#N)C(=N)C

DOS

IR

Vibrations