Geometry & MOs

Info

ID:	61727
PubChem CID:	26712211
Reduced:	SO5N6C20H26 (1)
Stoich.:	AB5C6D20E26 (1)
Weight, g/mol:	442.167477
ΔH_f, kcal/mol:	-157.56
Dipole, Da:	6.13
IP(EA), eV:	-9.45(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-ethyl-4-oxophthalazine-1-carboxamide

Drug info:

PubChemData

Smile

CCCCN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

DOS

IR

Vibrations