Geometry & MOs

Info

ID:	172742
PubChem CID:	75546014
Reduced:	SN3O3C24H27 (1)
Stoich.:	AB3C3D24E27 (1)
Weight, g/mol:	439.156577
ΔH_f, kcal/mol:	-48.77
Dipole, Da:	3.5
IP(EA), eV:	-8.66(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)C2=C3CCCCC3C(=O)N=N2)S(=O)(=O)NC4=CC(=C(C=C4)C)C

DOS

IR

Vibrations