Geometry & MOs

Info

ID:	34206
PubChem CID:	7890295
Reduced:	NF3O4H16C22 (1)
Stoich.:	AB3C4D16E22 (1)
Weight, g/mol:	368.97605
ΔH_f, kcal/mol:	-252.73
Dipole, Da:	3.47
IP(EA), eV:	-9.43(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-fluorophenyl)-2-(5-nitro-2-oxopyridin-1-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H](C(=O)NC2=CC=CC(=C2)C(F)(F)F)OC(=O)C3=CC(=CC=C3)O

DOS

IR

Vibrations