Geometry & MOs

Info

ID:	141950
PubChem CID:	52956495
Reduced:	SO2N6H24C29 (1)
Stoich.:	AB2C6D24E29 (1)
Weight, g/mol:	427.179696
ΔH_f, kcal/mol:	104.67
Dipole, Da:	5.99
IP(EA), eV:	-9.09(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-methylphenyl)benzimidazol-5-yl]-4-phenyl-8aH-phthalazin-1-imine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations