Geometry & MOs

Info

ID:	172741
PubChem CID:	75545838
Reduced:	SO3N5C27H29 (1)
Stoich.:	AB3C5D27E29 (1)
Weight, g/mol:	437.177313
ΔH_f, kcal/mol:	-47.37
Dipole, Da:	2.74
IP(EA), eV:	-8.69(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethylphenyl)-2-ethyl-5-(4-oxo-5,6,7,8-tetrahydro-4aH-phthalazin-1-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2)C3C(=O)NC(NN3)SC(C)C(=O)NC4=CC=CC=C4C

DOS

IR

Vibrations