Geometry & MOs

Info

ID:	35472
PubChem CID:	7979920
Reduced:	ClFN2O4H12C15 (1)
Stoich.:	ABC2D4E12F15 (1)
Weight, g/mol:	414.11619
ΔH_f, kcal/mol:	-88.65
Dipole, Da:	6.66
IP(EA), eV:	-9.47(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]-4-oxophthalazine-1-carbohydrazide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC=C1F)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations