Geometry & MOs

Info

ID:	188750
PubChem CID:	77761725
Reduced:	SBr2N3O4H19C21 (1)
Stoich.:	AB2C3D4E19F21 (1)
Weight, g/mol:	380.153621
ΔH_f, kcal/mol:	-85.73
Dipole, Da:	4.01
IP(EA), eV:	-8.56(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluoroanilino)-3-[2-(methoxymethyl)pyrrolidin-1-yl]naphthalene-1,4-dione

Drug info:

PubChemData

Smile

C1C(=C(N2C(S1)C(C2=O)NC(=O)CBr)C(=O)O)C=CC[N+]3=CC=CC4=CC=CC=C43.[Br-]

DOS

IR

Vibrations