Geometry & MOs

Info

ID:	172743
PubChem CID:	75546015
Reduced:	SN3O4C23H25 (1)
Stoich.:	AB3C4D23E25 (1)
Weight, g/mol:	459.101955
ΔH_f, kcal/mol:	-59.36
Dipole, Da:	5.17
IP(EA), eV:	-9.26(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chlorophenyl)methyl]-2-methoxy-5-(4-oxo-5,6,7,8-tetrahydro-4aH-phthalazin-1-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C3=C4CCCCC4C(=O)N=N3)OC

DOS

IR

Vibrations