Geometry & MOs

Info

ID:	186935
PubChem CID:	77507036
Reduced:	Br2N2O5C18H18 (1)
Stoich.:	A2B2C5D18E18 (1)
Weight, g/mol:	414.133948
ΔH_f, kcal/mol:	-165.75
Dipole, Da:	5.06
IP(EA), eV:	-10.23(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-fluoro-5-[(4-methyl-5-methylidene-6-oxopyridazin-3-yl)methyl]benzoyl]-2-oxopiperazin-1-yl]acetic acid

Drug info:

PubChemData

Smile

C=CC(C1C(CC(O1)N2CC(C(=O)NC2=O)Br)Br)OC(=O)C3=CC=CC=C3

DOS

IR

Vibrations