Geometry & MOs

Info

ID:	55730
PubChem CID:	17396213
Reduced:	NF2O4H15C19 (1)
Stoich.:	AB2C4D15E19 (1)
Weight, g/mol:	442.167477
ΔH_f, kcal/mol:	-190.62
Dipole, Da:	6.78
IP(EA), eV:	-9.3(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(diethylsulfamoyl)phenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)F)F)NC(=O)C2=CC3=C(C(=CC=C3)OC)OC2=O

DOS

IR

Vibrations