Geometry & MOs

Info

ID:	192185
PubChem CID:	78237405
Reduced:	SO2F3N5C18H18 (1)
Stoich.:	AB2C3D5E18F18 (1)
Weight, g/mol:	371.130363
ΔH_f, kcal/mol:	-132.13
Dipole, Da:	3.25
IP(EA), eV:	-9.18(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-2-methyl-5-(4-oxo-1H-phthalazin-1-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)NNC(=C)C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F

DOS

IR

Vibrations