Geometry & MOs

Info

ID:	123285
PubChem CID:	50840650
Reduced:	SO2F3N3H18C21 (1)
Stoich.:	AB2C3D3E18F21 (1)
Weight, g/mol:	404.221226
ΔH_f, kcal/mol:	-163.09
Dipole, Da:	6.17
IP(EA), eV:	-8.47(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(azepan-1-yl)-1-oxophthalazin-2-yl]-N-(2,5-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2=CC=C(C=C2)C(F)(F)F)SCC(=O)NC3=CC=C(C=C3)OC

DOS

IR

Vibrations