Geometry & MOs

Info

ID:	120940
PubChem CID:	50751239
Reduced:	SN3O3C24H27 (1)
Stoich.:	AB3C3D24E27 (1)
Weight, g/mol:	451.192963
ΔH_f, kcal/mol:	-65.65
Dipole, Da:	4.34
IP(EA), eV:	-8.99(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-ethyl-4-oxo-5,6,7,8-tetrahydrophthalazin-1-yl)-2-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)C2=NN(C(=O)C3=C2CCCC3)C)S(=O)(=O)NC4=CC=CC=C4C

DOS

IR

Vibrations