Geometry & MOs

Info

ID:	141942
PubChem CID:	52955510
Reduced:	SO2F3N6H23C30 (1)
Stoich.:	AB2C3D6E23F30 (1)
Weight, g/mol:	313.121512
ΔH_f, kcal/mol:	-57.99
Dipole, Da:	5.39
IP(EA), eV:	-9.14(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-phenylimino-4aH-phthalazin-1-yl)phenol

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2C3=CC=CC=C3C(=NC4=CC=CC(=C4)C(F)(F)F)N=N2)S(=O)(=O)NCC5=NC6=CC=CC=C6N5

DOS

IR

Vibrations