Geometry & MOs

Info

ID:	243305
PubChem CID:	99218268
Reduced:	SN2O4C20H26 (1)
Stoich.:	AB2C4D20E26 (1)
Weight, g/mol:	456.183127
ΔH_f, kcal/mol:	-150.4
Dipole, Da:	7.56
IP(EA), eV:	-9.16(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-N-[2-(tert-butylsulfamoyl)phenyl]-4-oxophthalazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)OCC(=O)NC2=CC=CC=C2S(=O)(=O)NC(C)(C)C)C

DOS

IR

Vibrations